Chemical ID: 4162253

CCCCC1CCC(CC1)C(=O)Nc2ccccc2OCCCC
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

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Descriptor Annotations

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