Chemical ID: 7261524

CCOc1ccc(cc1OC)CN(C)C(=O)c2cccnc2OCC
Chemical ID:
7261524
Name [?]:
2-ethoxy-N-[(4-ethoxy-3-methoxy-phenyl)methyl]-N-methyl-pyridine-3-carboxamide
SMILES [?]:
CCOc1ccc(cc1OC)CN(C)C(=O)c2cccnc2OCC
InChi [?]:
InChI=1/C19H24N2O4/c1-5-24-16-10-9-14(12-17(16)23-4)13-21(3)19(22)15-8-7-11-20-18(15)25-6-2/h7-12H,5-6,13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,25,14,11,2,24,19,18,6,5,20,8,12,7,17,4,9,22,15,21,13,16,10,3,23/rA:25nCCOCCCCCCOCCNCCOCCCCNCOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;s12;s13;s13;d15;s15;s17;d18;s19;d20;d17s21;s22;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H24N2O4
All Atoms:49
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:7.42956
Area:565.148
Solvation:-6.69915
Coulombic:-44.8841
Bond Count [?]
All:26
Single:19
Double:7
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:344.405
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.08
LogP (Chemaxon):2.28

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Descriptor Annotations

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