Mrv1572004191603312D          

 20 19  0  0  0  0            999 V2000
   -1.3184   -4.9204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105   -2.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8263   -4.9204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974   -2.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039   -5.3329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1118   -5.3329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829   -2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105   -4.9204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -3.6829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974   -4.9204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829   -3.6829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -5.3329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -4.0954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829   -5.3329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -4.0954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539   -5.3329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -4.9204    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -4.9204    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539   -6.1579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
 15 11  1  0  0  0  0
 16 12  1  0  0  0  0
 18 13  1  0  0  0  0
 18 14  1  0  0  0  0
 18 17  1  0  0  0  0
 19 15  1  0  0  0  0
 19 16  1  0  0  0  0
 19 17  1  0  0  0  0
 20 17  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM012415

> <DATABASE_NAME>
chemdb

> <SMILES>
CCCCN(CCCC)C(=O)N(CCCC)CCCC

> <INCHI_IDENTIFIER>
InChI=1S/C17H36N2O/c1-5-9-13-18(14-10-6-2)17(20)19(15-11-7-3)16-12-8-4/h5-16H2,1-4H3

> <INCHI_KEY>
SNDGLCYYBKJSOT-UHFFFAOYSA-N

> <FORMULA>
C17H36N2O

> <MOLECULAR_WEIGHT>
284.488

> <EXACT_MASS>
284.282763787

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
56

> <JCHEM_AVERAGE_POLARIZABILITY>
36.90394753053068

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1,1,3,3-tetrabutylurea

> <ALOGPS_LOGP>
5.50

> <JCHEM_LOGP>
4.826466459666667

> <ALOGPS_LOGS>
-3.78

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
0.22095712063032014

> <JCHEM_POLAR_SURFACE_AREA>
23.55

> <JCHEM_REFRACTIVITY>
88.2238

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.73e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,1,3,3-tetrabutylurea

> <JCHEM_VEBER_RULE>
0

> <NAME>
Urea, tetrabutyl-

> <CAS>
4559-86-8

> <SYNONYMS>
1,1,3,3-tetrabutylurea; 1,1,3,3-Tetrabutylurea; tetrabutylurea

$$$$