2-ethoxy-N-[1-(2-ethoxybenzoyl)-3-methyl-2-pyridinylidene]benzamide

C24H24N2O4 — CID 1219723

IUPAC2-ethoxy-N-[1-(2-ethoxybenzoyl)-3-methyl-2-pyridinylidene]benzamide
SMILESCCOc1ccccc1C(=O)/N=c1\c(C)cccn1C(=O)c1ccccc1OCC
InChIInChI=1S/C24H24N2O4/c1-4-29-20-14-8-6-12-18(20)23(27)25-22-17(3)11-10-16-26(22)24(28)19-13-7-9-15-21(19)30-5-2/h6-16H,4-5H2,1-3H3/b25-22+
InChIKeyKLCJURCNWYJKQG-YYDJUVGSSA-N
MW404.47 g/mol
LogP4.02
Rot. Bonds6

About 2-ethoxy-N-[1-(2-ethoxybenzoyl)-3-methyl-2-pyridinylidene]benzamide

2-ethoxy-N-[1-(2-ethoxybenzoyl)-3-methyl-2-pyridinylidene]benzamide (PubChem CID 1219723) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-ethoxy-N-[1-(2-ethoxybenzoyl)-3-methyl-2-pyridinylidene]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[1-(2-ethoxybenzoyl)-3-methyl-2-pyridinylidene]benzamide
PubChem CID1219723
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name2-ethoxy-N-[1-(2-ethoxybenzoyl)-3-methyl-2-pyridinylidene]benzamide
SMILESCCOc1ccccc1C(=O)/N=c1\c(C)cccn1C(=O)c1ccccc1OCC
InChIInChI=1S/C24H24N2O4/c1-4-29-20-14-8-6-12-18(20)23(27)25-22-17(3)11-10-16-26(22)24(28)19-13-7-9-15-21(19)30-5-2/h6-16H,4-5H2,1-3H3/b25-22+
InChIKeyKLCJURCNWYJKQG-YYDJUVGSSA-N
XLogP4.02
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[1-(2-ethoxybenzoyl)-3-methyl-2-pyridinylidene]benzamide?
The IUPAC name of 2-ethoxy-N-[1-(2-ethoxybenzoyl)-3-methyl-2-pyridinylidene]benzamide (CID 1219723) is 2-ethoxy-N-[1-(2-ethoxybenzoyl)-3-methyl-2-pyridinylidene]benzamide.
What is the SMILES notation for 2-ethoxy-N-[1-(2-ethoxybenzoyl)-3-methyl-2-pyridinylidene]benzamide?
The canonical SMILES for 2-ethoxy-N-[1-(2-ethoxybenzoyl)-3-methyl-2-pyridinylidene]benzamide is CCOc1ccccc1C(=O)/N=c1\c(C)cccn1C(=O)c1ccccc1OCC.
What is the InChIKey of 2-ethoxy-N-[1-(2-ethoxybenzoyl)-3-methyl-2-pyridinylidene]benzamide?
The InChIKey is KLCJURCNWYJKQG-YYDJUVGSSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-4-29-20-14-8-6-12-18(20)23(27)25-22-17(3)11-10-16-26(22)24(28)19-13-7-9-15-21(19)30-5-2/h6-16H,4-5H2,1-3H3/b25-22+.
What are the key properties of 2-ethoxy-N-[1-(2-ethoxybenzoyl)-3-methyl-2-pyridinylidene]benzamide?
2-ethoxy-N-[1-(2-ethoxybenzoyl)-3-methyl-2-pyridinylidene]benzamide has a molecular weight of 404.47 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[1-(2-ethoxybenzoyl)-3-methyl-2-pyridinylidene]benzamide is sourced from PubChem (CID 1219723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).