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Chemical ID: 7261524
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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