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Chemical ID: 5609861
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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