Chemical ID: 6656210

CC(C)c1ccc(cc1)NC(=O)Nc2ccc(cc2)C(C)C
Chemical ID:
6656210
Name [?]:
1,3-bis(4-isopropylphenyl)urea
SMILES [?]:
CC(C)c1ccc(cc1)NC(=O)Nc2ccc(cc2)C(C)C
InChi [?]:
InChI=1/C19H24N2O/c1-13(2)15-5-9-17(10-6-15)20-19(22)21-18-11-7-16(8-12-18)14(3)4/h5-14H,1-4H3,(H2,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,3,21,22,5,9,16,18,6,8,15,19,2,20,4,17,7,14,11,10,13,12/E:(1,2,3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16)(17,18)(20,21)/rA:22nCCCCCCCCCNCONCCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H24N2O
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:11.3784
Area:528.196
Solvation:-1.82652
Coulombic:-36.955
Bond Count [?]
All:23
Single:16
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:296.407
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:5.29
LogP (Chemaxon):5.89

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Descriptor Annotations

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