Chemical ID: 4099095

CC(C)c1ccc(cc1)NC(=O)NC(C)C
Chemical ID:
4099095
Name [?]:
3-isopropyl-1-(4-isopropylphenyl)-urea
SMILES [?]:
CC(C)c1ccc(cc1)NC(=O)NC(C)C
InChi [?]:
InChI=1/C13H20N2O/c1-9(2)11-5-7-12(8-6-11)15-13(16)14-10(3)4/h5-10H,1-4H3,(H2,14,15,16)
InChi Info:
AuxInfo=1/1/N:1,3,15,16,5,9,6,8,2,14,4,7,11,13,10,12/E:(1,2)(3,4)(5,6)(7,8)/rA:16nCCCCCCCCCNCONCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H20N2O
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:9.12897
Area:427.919
Solvation:-1.56902
Coulombic:-36.0034
Bond Count [?]
All:16
Single:12
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:220.311
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.2
LogP (Chemaxon):3.3

Name Annotations

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Descriptor Annotations

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