Chemical ID: 4682251

CC(C)(C)C(=O)NCCc1ccccc1
Chemical ID:
4682251
Name [?]:
2,2-dimethyl-N-phenethyl-propanamide
SMILES [?]:
CC(C)(C)C(=O)NCCc1ccccc1
InChi [?]:
InChI=1/C13H19NO/c1-13(2,3)12(15)14-10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,3,4,13,12,14,11,15,9,8,10,5,2,7,6/E:(1,2,3)(5,6)(7,8)/rA:15nCCCCCONCCCCCCCC/rB:s1;s2;s2;s2;d5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H19NO
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.62109
Area:414.434
Solvation:-1.73977
Coulombic:-23.1789
Bond Count [?]
All:15
Single:11
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:205.296
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.33
LogP (Chemaxon):3.1

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