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Chemical ID: 4162253
Chemical ID:
4162253
Name [?]:
N-(2-butoxyphenyl)-4-butyl-cyclohexane-1-carboxamide
SMILES [?]:
CCCCC1CCC(CC1)C(=O)Nc2ccccc2OCCCC
InChi [?]:
InChI=1/C21H33NO2/c1-3-5-9-17-12-14-18(15-13-17)21(23)22-19-10-7-8-11-20(19)24-16-6-4-2/h7-8,10-11,17-18H,3-6,9,12-16H2,1-2H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,24,2,23,3,22,16,17,4,15,18,6,10,7,9,21,5,8,14,19,11,13,12,20/E:(12,13)(14,15)/rA:24nCCCCCCCCCCCONCCCCCCOCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s8;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s20;s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H33NO2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.4792 |
Area: | 601.085 |
Solvation: | -2.54796 |
Coulombic: | -31.6422 |
Bond Count [?]
All: | 25 |
Single: | 21 |
Double: | 4 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 331.492 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 6.67 |
LogP (Chemaxon): | 5.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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