Chemical ID: 6380515

CCCCN(CCCC)C(=O)Nc1ccccc1
Chemical ID:
6380515
Name [?]:
1,1-dibutyl-3-phenyl-urea
SMILES [?]:
CCCCN(CCCC)C(=O)Nc1ccccc1
InChi [?]:
InChI=1/C15H24N2O/c1-3-5-12-17(13-6-4-2)15(18)16-14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,9,2,8,3,7,16,15,17,14,18,4,6,13,10,12,5,11/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)/rA:18nCCCCNCCCCCONCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;d10;s10;s12;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H24N2O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:10.5679
Area:487.699
Solvation:-1.62454
Coulombic:-32.6862
Bond Count [?]
All:18
Single:14
Double:4
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:248.364
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.76
LogP (Chemaxon):4.01

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