Chemical ID: 5642519

COc1cccc(c1)NC(=O)C23CC4CC(C2)CC(C4)C3
Chemical ID:
5642519
Name [?]:
N-(3-methoxyphenyl)adamantane-1-carboxamide
SMILES [?]:
COc1cccc(c1)NC(=O)C23CC4CC(C2)CC(C4)C3
InChi [?]:
InChI=1/C18H23NO2/c1-21-16-4-2-3-15(8-16)19-17(20)18-9-12-5-13(10-18)7-14(6-12)11-18/h2-4,8,12-14H,5-7,9-11H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,15,18,20,8,17,13,21,16,14,19,7,3,10,12,9,11,2/E:(5,6,7)(9,10,11)(12,13,14)/rA:21nCOCCCCCCNCOCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;s12;s13;s14;s15;s12s16;s16;s18;s14s19;s12s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H23NO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.60077
Area:456.72
Solvation:-2.81723
Coulombic:-29.0736
Bond Count [?]
All:24
Single:20
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:285.381
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.15
LogP (Chemaxon):3.64

Name Annotations

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Descriptor Annotations

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