Chemical ID: 5500320

CC(C)(C)C1CCC(CC1)C(=O)Nc2cccc(c2)OC
Chemical ID:
5500320
Name [?]:
N-(3-methoxyphenyl)-4-tert-butyl-cyclohexane-1-carboxamide
SMILES [?]:
CC(C)(C)C1CCC(CC1)C(=O)Nc2cccc(c2)OC
InChi [?]:
InChI=1/C18H27NO2/c1-18(2,3)14-10-8-13(9-11-14)17(20)19-15-6-5-7-16(12-15)21-4/h5-7,12-14H,8-11H2,1-4H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,3,4,21,16,15,17,7,9,6,10,19,8,5,14,18,11,2,13,12,20/E:(1,2,3)(8,9)(10,11)/rA:21nCCCCCCCCCCCONCCCCCCOC/rB:s1;s2;s2;s2;s5;s6;s7;s8;s5s9;s8;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H27NO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.34955
Area:500.866
Solvation:-3.1721
Coulombic:-29.1101
Bond Count [?]
All:22
Single:18
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:289.413
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.29
LogP (Chemaxon):4.49

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