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Chemical ID: 4682900
Chemical ID:
4682900
Name [?]:
N-(4-pentylphenyl)cyclohexanecarboxamide
SMILES [?]:
CCCCCc1ccc(cc1)NC(=O)C2CCCCC2
InChi [?]:
InChI=1/C18H27NO/c1-2-3-5-8-15-11-13-17(14-12-15)19-18(20)16-9-6-4-7-10-16/h11-14,16H,2-10H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,3,18,4,17,19,5,16,20,7,11,8,10,6,15,9,13,12,14/E:(6,7)(9,10)(11,12)(13,14)/rA:20nCCCCCCCCCCCNCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H27NO |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0971 |
Area: | 511.453 |
Solvation: | -1.68919 |
Coulombic: | -23.0784 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 273.413 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.8 |
LogP (Chemaxon): | 5.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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