Chemical ID: 4058684

CC(C)c1ccc(cc1)NC(=O)NCC2CC2
Chemical ID:
4058684
Name [?]:
3-(cyclopropylmethyl)-1-(4-isopropylphenyl)-urea
SMILES [?]:
CC(C)c1ccc(cc1)NC(=O)NCC2CC2
InChi [?]:
InChI=1/C14H20N2O/c1-10(2)12-5-7-13(8-6-12)16-14(17)15-9-11-3-4-11/h5-8,10-11H,3-4,9H2,1-2H3,(H2,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,3,16,17,5,9,6,8,14,2,15,4,7,11,13,10,12/E:(1,2)(3,4)(5,6)(7,8)/rA:17nCCCCCCCCCNCONCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;s15s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H20N2O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:9.67072
Area:450.76
Solvation:-1.59828
Coulombic:-36.2137
Bond Count [?]
All:18
Single:14
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:232.321
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.06
LogP (Chemaxon):3.25

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue