Chemical ID: 5170803

CCCCNC(=O)Nc1ccc(cc1)CC
Chemical ID:
5170803
Name [?]:
1-butyl-3-(4-ethylphenyl)-urea
SMILES [?]:
CCCCNC(=O)Nc1ccc(cc1)CC
InChi [?]:
InChI=1/C13H20N2O/c1-3-5-10-14-13(16)15-12-8-6-11(4-2)7-9-12/h6-9H,3-5,10H2,1-2H3,(H2,14,15,16)
InChi Info:
AuxInfo=1/1/N:1,16,2,15,3,11,13,10,14,4,12,9,6,5,8,7/E:(6,7)(8,9)/rA:16nCCCCNCONCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s12;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H20N2O
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:9.43503
Area:441.367
Solvation:-1.59916
Coulombic:-36.2619
Bond Count [?]
All:16
Single:12
Double:4
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:220.311
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.17
LogP (Chemaxon):3.42

Name Annotations

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Descriptor Annotations

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