Chemical ID: 6934694

CCC(C)C(=O)NC(C)c1ccccc1
Chemical ID:
6934694
Name [?]:
2-methyl-N-(1-phenylethyl)butanamide
SMILES [?]:
CCC(C)C(=O)NC(C)c1ccccc1
InChi [?]:
InChI=1/C13H19NO/c1-4-10(2)13(15)14-11(3)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,4,9,2,13,12,14,11,15,3,8,10,5,7,6/E:(6,7)(8,9)/rA:15cCCCCCONCCCCCCCC/rB:s1;s2;s3;s3;d5;s5;s7;s8;s8;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H19NO
All Atoms:34
Heavy Atoms:15
Chiral Atoms:2
ZAP Information [?]
Total:8.58396
Area:409.963
Solvation:-1.66511
Coulombic:-23.1516
Bond Count [?]
All:15
Single:11
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:205.296
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.06
LogP (Chemaxon):2.99

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