Chemical ID: 6935724

CCC(C)C(=O)Nc1cccc(c1)OC
Chemical ID:
6935724
Name [?]:
N-(3-methoxyphenyl)-2-methyl-butanamide
SMILES [?]:
CCC(C)C(=O)Nc1cccc(c1)OC
InChi [?]:
InChI=1/C12H17NO2/c1-4-9(2)12(14)13-10-6-5-7-11(8-10)15-3/h5-9H,4H2,1-3H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,4,15,2,10,9,11,13,3,8,12,5,7,6,14/rA:15cCCCCCONCCCCCCOC/rB:s1;s2;s3;s3;d5;s5;s7;s8;d9;s10;d11;d8s12;s12;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H17NO2
All Atoms:32
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:6.78077
Area:399.014
Solvation:-3.19459
Coulombic:-27.8303
Bond Count [?]
All:15
Single:11
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:207.269
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.31
LogP (Chemaxon):2.71

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Descriptor Annotations

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