Chemical ID: 5822062

CCOc1ccccc1NC(=O)C23CC4CC(C2)CC(C4)C3
Chemical ID:
5822062
Name [?]:
N-(2-ethoxyphenyl)adamantane-1-carboxamide
SMILES [?]:
CCOc1ccccc1NC(=O)C23CC4CC(C2)CC(C4)C3
InChi [?]:
InChI=1/C19H25NO2/c1-2-22-17-6-4-3-5-16(17)20-18(21)19-10-13-7-14(11-19)9-15(8-13)12-19/h3-6,13-15H,2,7-12H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,7,6,8,5,16,19,21,18,14,22,17,15,20,9,4,11,13,10,12,3/E:(7,8,9)(10,11,12)(13,14,15)/rA:22nCCOCCCCCCNCOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;s15;s16;s13s17;s17;s19;s15s20;s13s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H25NO2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.5922
Area:480.315
Solvation:-2.41566
Coulombic:-30.3964
Bond Count [?]
All:25
Single:21
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:299.407
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.57
LogP (Chemaxon):3.99

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Descriptor Annotations

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