Chemical ID: 6643075

CC(C)CC(C)NC(=O)Nc1ccccc1
Chemical ID:
6643075
Name [?]:
1-(1,3-dimethylbutyl)-3-phenyl-urea
SMILES [?]:
CC(C)CC(C)NC(=O)Nc1ccccc1
InChi [?]:
InChI=1/C13H20N2O/c1-10(2)9-11(3)14-13(16)15-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H2,14,15,16)
InChi Info:
AuxInfo=1/1/N:1,3,6,14,13,15,12,16,4,2,5,11,8,7,10,9/E:(1,2)(5,6)(7,8)/rA:16cCCCCCCNCONCCCCCC/rB:s1;s2;s2;s4;s5;s5;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H20N2O
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:9.14997
Area:428.326
Solvation:-1.55817
Coulombic:-36.5666
Bond Count [?]
All:16
Single:12
Double:4
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:220.311
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.23
LogP (Chemaxon):3.3

Name Annotations

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Descriptor Annotations

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