Chemical ID: 5642515

Cc1ccccc1NC(=O)C23CC4CC(C2)CC(C4)C3
Chemical ID:
5642515
Name [?]:
N-(o-tolyl)adamantane-1-carboxamide
SMILES [?]:
Cc1ccccc1NC(=O)C23CC4CC(C2)CC(C4)C3
InChi [?]:
InChI=1/C18H23NO/c1-12-4-2-3-5-16(12)19-17(20)18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,13-15H,6-11H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,4,5,3,6,14,17,19,16,12,20,2,15,13,18,7,9,11,8,10/E:(6,7,8)(9,10,11)(13,14,15)/rA:20nCCCCCCCNCOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s15;s17;s13s18;s11s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H23NO
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.34499
Area:436.125
Solvation:-1.55814
Coulombic:-22.6266
Bond Count [?]
All:23
Single:19
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:269.381
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.46
LogP (Chemaxon):3.71

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Descriptor Annotations

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