Chemical ID: 4060812

CCCCN(C)C(=O)Nc1ccccc1C(C)C
Chemical ID:
4060812
Name [?]:
1-butyl-3-(2-isopropylphenyl)-1-methyl-urea
SMILES [?]:
CCCCN(C)C(=O)Nc1ccccc1C(C)C
InChi [?]:
InChI=1/C15H24N2O/c1-5-6-11-17(4)15(18)16-14-10-8-7-9-13(14)12(2)3/h7-10,12H,5-6,11H2,1-4H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,17,18,6,2,3,13,12,14,11,4,16,15,10,7,9,5,8/E:(2,3)/rA:18nCCCCNCCONCCCCCCCCC/rB:s1;s2;s3;s4;s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;s16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H24N2O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:10.1316
Area:469.507
Solvation:-1.60605
Coulombic:-32.3498
Bond Count [?]
All:18
Single:14
Double:4
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:248.364
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.6
LogP (Chemaxon):3.35

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