Chemical ID: 6377253

Cc1ccc(cc1C)NC(=O)CC(C)C
Chemical ID:
6377253
Name [?]:
N-(3,4-dimethylphenyl)-3-methyl-butanamide
SMILES [?]:
Cc1ccc(cc1C)NC(=O)CC(C)C
InChi [?]:
InChI=1/C13H19NO/c1-9(2)7-13(15)14-12-6-5-10(3)11(4)8-12/h5-6,8-9H,7H2,1-4H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:14,15,1,8,3,4,12,6,13,2,7,5,10,9,11/E:(1,2)/rA:15nCCCCCCCCNCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H19NO
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.29443
Area:403.259
Solvation:-1.78705
Coulombic:-20.8612
Bond Count [?]
All:15
Single:11
Double:4
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:205.296
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.48
LogP (Chemaxon):3.66

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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