Chemical ID: 6528913

COc1cc(cc(c1)OC)NC(=O)C2CC2
Chemical ID:
6528913
Name [?]:
N-(3,5-dimethoxyphenyl)cyclopropanecarboxamide
SMILES [?]:
COc1cc(cc(c1)OC)NC(=O)C2CC2
InChi [?]:
InChI=1/C12H15NO3/c1-15-10-5-9(6-11(7-10)16-2)13-12(14)8-3-4-8/h5-8H,3-4H2,1-2H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,10,15,16,4,6,8,14,5,3,7,12,11,13,2,9/E:(1,2)(3,4)(5,6)(10,11)(15,16)/rA:16nCOCCCCCCOCNCOCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s5;s11;d12;s12;s14;s14s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15NO3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:5.80647
Area:408.053
Solvation:-4.39486
Coulombic:-33.2597
Bond Count [?]
All:17
Single:13
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:221.252
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.31
LogP (Chemaxon):1.55

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Descriptor Annotations

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