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Chemical ID: 6343459
Chemical ID:
6343459
Name [?]:
N-(4-ethylphenyl)cyclopentanecarboxamide
SMILES [?]:
CCc1ccc(cc1)NC(=O)C2CCCC2
InChi [?]:
InChI=1/C14H19NO/c1-2-11-7-9-13(10-8-11)15-14(16)12-5-3-4-6-12/h7-10,12H,2-6H2,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,14,15,13,16,4,8,5,7,3,12,6,10,9,11/E:(3,4)(5,6)(7,8)(9,10)/rA:16nCCCCCCCCNCOCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;s14;s12s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19NO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.69431 |
Area: | 415.698 |
Solvation: | -1.69815 |
Coulombic: | -21.79 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 217.307 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.52 |
LogP (Chemaxon): | 3.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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