Chemical ID: 6320998

CCCCN(C)CCC(=O)Nc1ccccc1C
Chemical ID:
6320998
Name [?]:
3-(butyl-methyl-amino)-N-(o-tolyl)propanamide
SMILES [?]:
CCCCN(C)CCC(=O)Nc1ccccc1C
InChi [?]:
InChI=1/C15H24N2O/c1-4-5-11-17(3)12-10-15(18)16-14-9-7-6-8-13(14)2/h6-9H,4-5,10-12H2,1-3H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,18,6,2,3,15,14,16,13,8,4,7,17,12,9,11,5,10/rA:18cCCCCNCCCCONCCCCCCC/rB:s1;s2;s3;s4;s5;s5;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H24N2O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:10.0242
Area:483.372
Solvation:-2.06009
Coulombic:-26.2906
Bond Count [?]
All:18
Single:14
Double:4
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:248.364
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.54
LogP (Chemaxon):2.44

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