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Chemical ID: 6387848
Chemical ID:
6387848
Name [?]:
N-(4-ethoxyphenyl)cyclopentanecarboxamide
SMILES [?]:
CCOc1ccc(cc1)NC(=O)C2CCCC2
InChi [?]:
InChI=1/C14H19NO2/c1-2-17-13-9-7-12(8-10-13)15-14(16)11-5-3-4-6-11/h7-11H,2-6H2,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,15,16,14,17,6,8,5,9,13,7,4,11,10,12,3/E:(3,4)(5,6)(7,8)(9,10)/rA:17nCCOCCCCCCNCOCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;s13s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19NO2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.94519 |
Area: | 431.817 |
Solvation: | -2.85023 |
Coulombic: | -28.1612 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 233.306 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.96 |
LogP (Chemaxon): | 2.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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