Chemical ID: 5506601

CCOc1c(cccn1)C(=O)NC2CCCc3c2cccc3
Chemical ID:
5506601
Name [?]:
2-ethoxy-N-tetralin-1-yl-pyridine-3-carboxamide
SMILES [?]:
CCOc1c(cccn1)C(=O)NC2CCCc3c2cccc3
InChi [?]:
InChI=1/C18H20N2O2/c1-2-22-18-15(10-6-12-19-18)17(21)20-16-11-5-8-13-7-3-4-9-14(13)16/h3-4,6-7,9-10,12,16H,2,5,8,11H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,21,20,15,7,22,16,19,6,14,8,17,18,5,13,10,4,9,12,11,3/rA:22cCCOCCCCCNCONCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s5;d10;s10;s12;s13;s14;s15;s16;s13s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20N2O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:8.84219
Area:492.018
Solvation:-3.45827
Coulombic:-36.2777
Bond Count [?]
All:24
Single:17
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:296.364
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.83
LogP (Chemaxon):3.04

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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