Chemical ID: 4664229

CC(C)C(=O)Nc1ccccc1
Chemical ID:
4664229
Name [?]:
2-methyl-N-phenyl-propanamide
SMILES [?]:
CC(C)C(=O)Nc1ccccc1
InChi [?]:
InChI=1/C10H13NO/c1-8(2)10(12)11-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,3,10,9,11,8,12,2,7,4,6,5/E:(1,2)(4,5)(6,7)/rA:12nCCCCONCCCCCC/rB:s1;s2;s2;d4;s4;s6;s7;d8;s9;d10;d7s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H13NO
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.70482
Area:337.586
Solvation:-1.73483
Coulombic:-21.3191
Bond Count [?]
All:12
Single:8
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:163.216
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.82
LogP (Chemaxon):2.56

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