Chemical ID: 5664307

COc1ccc(cc1OC)NC(=O)C2CCCC2
Chemical ID:
5664307
Name [?]:
N-(3,4-dimethoxyphenyl)cyclopentanecarboxamide
SMILES [?]:
COc1ccc(cc1OC)NC(=O)C2CCCC2
InChi [?]:
InChI=1/C14H19NO3/c1-17-12-8-7-11(9-13(12)18-2)15-14(16)10-5-3-4-6-10/h7-10H,3-6H2,1-2H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,10,16,17,15,18,5,4,7,14,6,3,8,12,11,13,2,9/E:(3,4)(5,6)/rA:18nCOCCCCCCOCNCOCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s12;s14;s15;s16;s14s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H19NO3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:6.04304
Area:442.173
Solvation:-5.01128
Coulombic:-34.0712
Bond Count [?]
All:19
Single:15
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:249.306
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.18
LogP (Chemaxon):2.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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