<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">347134</id>
  <title nil="true"/>
  <common-name>(4-nitrophenyl)methyl n-[(2s)-3-[4-[2-(dimethylamino)ethoxy]phenyl]-1-(dipropylamino)-1-oxopropan-2-yl]carbamate</common-name>
  <description>(4-nitrophenyl)methyl n-[(2s)-3-[4-[2-(dimethylamino)ethoxy]phenyl]-1-(dipropylamino)-1-oxopropan-2-yl]carbamate is a chemical compound with the formula C27H38N4O6. With an average molecular weight of 514.60 g/mol, (4-nitrophenyl)methyl n-[(2s)-3-[4-[2-(dimethylamino)ethoxy]phenyl]-1-(dipropylamino)-1-oxopropan-2-yl]carbamate is a heavy molecule.</description>
  <cas>57228-55-4</cas>
  <pubchem-id>42234</pubchem-id>
  <chemical-formula>C27H38N4O6</chemical-formula>
  <weight>514.6</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-08-31T10:48:43Z</created-at>
  <updated-at type="dateTime">2026-08-31T10:48:43Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CCCN(CCC)C(=O)C(CC1=CC=C(C=C1)OCCN(C)C)NC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]</moldb-smiles>
  <moldb-formula>C27H38N4O6</moldb-formula>
  <moldb-inchi>InChI=1S/C27H38N4O6/c1-5-15-30(16-6-2)26(32)25(19-21-9-13-24(14-10-21)36-18-17-29(3)4)28-27(33)37-20-22-7-11-23(12-8-22)31(34)35/h7-14,25H,5-6,15-20H2,1-4H3,(H,28,33)/t25-/m0/s1</moldb-inchi>
  <moldb-inchikey>UVALSMROOIDTHM-VWLOTQADSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">514.2791349</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.6</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM343027</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>(4-nitrophenyl)methyl n-[(2s)-3-[4-[2-(dimethylamino)ethoxy]phenyl]-1-(dipropylamino)-1-oxopropan-2-yl]carbamate</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organic acids and derivatives</superklass>
  <klass>Carboxylic acids and derivatives</klass>
  <subklass>Amino acids, peptides, and analogues</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0297479</sync-id>
  <structure-inchikey>UVALSMROOIDTHM-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40040000000000000001800002000400000010000000000000010000000000000000000002000200200000000000000000000000000000000008000000000000000000000000000000000000000000000028000000000500001200008040400040000020010000000200004000004000004000000000000000002000000000000020000040000000000000000000000080100008001000000000000000020020000020000000000000000000180000000000000000080000000000000000000000000000000000000000000000000000000000000000000000000222400000100000420000010000000040000000002400000001001000400000020000000020</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAlAAAAJgAAAIABBgBgAAAAAQMGAGAAAAAC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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:45:42Z</structure-indexed-at>
</compound>
