Chemical ID: 6667844

CCCCN(C)C(=O)Nc1cccc(c1)CC
Chemical ID:
6667844
Name [?]:
1-butyl-3-(3-ethylphenyl)-1-methyl-urea
SMILES [?]:
CCCCN(C)C(=O)Nc1cccc(c1)CC
InChi [?]:
InChI=1/C14H22N2O/c1-4-6-10-16(3)14(17)15-13-9-7-8-12(5-2)11-13/h7-9,11H,4-6,10H2,1-3H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,17,6,2,16,3,12,13,11,4,15,14,10,7,9,5,8/rA:17nCCCCNCCONCCCCCCCC/rB:s1;s2;s3;s4;s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H22N2O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:9.83116
Area:455.335
Solvation:-1.55221
Coulombic:-32.0451
Bond Count [?]
All:17
Single:13
Double:4
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:234.337
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.31
LogP (Chemaxon):3.66

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