Chemical ID: 5609861

Cc1cc(c(c(c1)C)NC(=O)C23CC4CC(C2)CC(C4)C3)C
Chemical ID:
5609861
Name [?]:
N-(2,4,6-trimethylphenyl)adamantane-1-carboxamide
SMILES [?]:
Cc1cc(c(c(c1)C)NC(=O)C23CC4CC(C2)CC(C4)C3)C
InChi [?]:
InChI=1/C20H27NO/c1-12-4-13(2)18(14(3)5-12)21-19(22)20-9-15-6-16(10-20)8-17(7-15)11-20/h4-5,15-17H,6-11H2,1-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,8,22,7,3,15,18,20,17,13,21,2,6,4,16,14,19,5,10,12,9,11/E:(2,3)(4,5)(6,7,8)(9,10,11)(13,14)(15,16,17)/rA:22nCCCCCCCCNCOCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;s14;s15;s12s16;s16;s18;s14s19;s12s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H27NO
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.0405
Area:468.492
Solvation:-1.67181
Coulombic:-21.9997
Bond Count [?]
All:25
Single:21
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:297.435
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.12
LogP (Chemaxon):4.0

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Descriptor Annotations

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