Chemical ID: 6401433

CCCC(=O)Nc1cccc(c1C)C
Chemical ID:
6401433
Name [?]:
N-(2,3-dimethylphenyl)butanamide
SMILES [?]:
CCCC(=O)Nc1cccc(c1C)C
InChi [?]:
InChI=1/C12H17NO/c1-4-6-12(14)13-11-8-5-7-9(2)10(11)3/h5,7-8H,4,6H2,1-3H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,14,13,2,9,3,10,8,11,12,7,4,6,5/rA:14nCCCCONCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s12;s11;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H17NO
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.81082
Area:382.591
Solvation:-1.75396
Coulombic:-20.7689
Bond Count [?]
All:14
Single:10
Double:4
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:191.27
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.76
LogP (Chemaxon):2.68

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Descriptor Annotations

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