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Chemical ID: 5664307
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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