ethyl 1-[2-(1,2-diphenylethylamino)-2-oxoethyl]-6-methyl-4-(3-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate

C32H34N2O4 — CID 3916593

IUPACethyl 1-[2-(1,2-diphenylethylamino)-2-oxoethyl]-6-methyl-4-(3-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(CC(=O)NC(Cc2ccccc2)c2ccccc2)C(=O)CC1c1cccc(C)c1
InChIInChI=1S/C32H34N2O4/c1-4-38-32(37)31-23(3)34(30(36)20-27(31)26-17-11-12-22(2)18-26)21-29(35)33-28(25-15-9-6-10-16-25)19-24-13-7-5-8-14-24/h5-18,27-28H,4,19-21H2,1-3H3,(H,33,35)
InChIKeyKQPDXPHWNUADEK-UHFFFAOYSA-N
MW510.63 g/mol
LogP5.25
Rot. Bonds9

About ethyl 1-[2-(1,2-diphenylethylamino)-2-oxoethyl]-6-methyl-4-(3-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate

ethyl 1-[2-(1,2-diphenylethylamino)-2-oxoethyl]-6-methyl-4-(3-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate (PubChem CID 3916593) has the molecular formula C32H34N2O4 and a molecular weight of 510.63 g/mol. Its IUPAC name is ethyl 1-[2-(1,2-diphenylethylamino)-2-oxoethyl]-6-methyl-4-(3-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(1,2-diphenylethylamino)-2-oxoethyl]-6-methyl-4-(3-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate
PubChem CID3916593
Molecular FormulaC32H34N2O4
Molecular Weight510.63 g/mol
Exact Mass510.25
IUPAC Nameethyl 1-[2-(1,2-diphenylethylamino)-2-oxoethyl]-6-methyl-4-(3-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(CC(=O)NC(Cc2ccccc2)c2ccccc2)C(=O)CC1c1cccc(C)c1
InChIInChI=1S/C32H34N2O4/c1-4-38-32(37)31-23(3)34(30(36)20-27(31)26-17-11-12-22(2)18-26)21-29(35)33-28(25-15-9-6-10-16-25)19-24-13-7-5-8-14-24/h5-18,27-28H,4,19-21H2,1-3H3,(H,33,35)
InChIKeyKQPDXPHWNUADEK-UHFFFAOYSA-N
XLogP5.25
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.63
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 1-[2-(1,2-diphenylethylamino)-2-oxoethyl]-6-methyl-4-(3-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate with MolForge

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Related Compounds

ethyl 1-[[3-(1,2-diphenylethylcarbamoyl)phenyl]methyl]-6-methyl-4-(3-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42662701
ethyl 6-methyl-4-(3-methylphenyl)-2-oxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]-3,4-dihydropyridine-5-carboxylate
CID 3360745
ethyl (4S)-1-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-6-methyl-4-(3-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 7417222
ethyl (4R)-1-[2-(butylamino)-2-oxoethyl]-6-methyl-4-(3-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 7482271
ethyl 6-methyl-4-(4-methylphenyl)-2-oxo-1-[2-oxo-2-(1-phenylethylamino)ethyl]-3,4-dihydropyridine-5-carboxylate
CID 4015823
ethyl (4R)-1-[2-(benzylamino)-2-oxoethyl]-4-(3-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 7347805
ethyl 1-[[3-(benzylcarbamoyl)phenyl]methyl]-6-methyl-4-(3-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42761171
ethyl 6-methyl-4-(3-methylphenyl)-2-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-3,4-dihydropyridine-5-carboxylate
CID 3501939
ethyl 4-(2-chlorophenyl)-1-[[3-(1,2-diphenylethylcarbamoyl)phenyl]methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 3622711
ethyl 1-[2-(benzhydrylamino)-2-oxoethyl]-4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 5025158
ethyl 6-methyl-4-(4-methylphenyl)-2-oxo-1-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4-dihydropyridine-5-carboxylate
CID 42761267
ethyl 6-methyl-1-[2-(3-methylbutylamino)-2-oxoethyl]-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydropyridine-5-carboxylate
CID 42761455

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(1,2-diphenylethylamino)-2-oxoethyl]-6-methyl-4-(3-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate?
The IUPAC name of ethyl 1-[2-(1,2-diphenylethylamino)-2-oxoethyl]-6-methyl-4-(3-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate (CID 3916593) is ethyl 1-[2-(1,2-diphenylethylamino)-2-oxoethyl]-6-methyl-4-(3-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate.
What is the SMILES notation for ethyl 1-[2-(1,2-diphenylethylamino)-2-oxoethyl]-6-methyl-4-(3-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate?
The canonical SMILES for ethyl 1-[2-(1,2-diphenylethylamino)-2-oxoethyl]-6-methyl-4-(3-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate is CCOC(=O)C1=C(C)N(CC(=O)NC(Cc2ccccc2)c2ccccc2)C(=O)CC1c1cccc(C)c1.
What is the InChIKey of ethyl 1-[2-(1,2-diphenylethylamino)-2-oxoethyl]-6-methyl-4-(3-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate?
The InChIKey is KQPDXPHWNUADEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N2O4/c1-4-38-32(37)31-23(3)34(30(36)20-27(31)26-17-11-12-22(2)18-26)21-29(35)33-28(25-15-9-6-10-16-25)19-24-13-7-5-8-14-24/h5-18,27-28H,4,19-21H2,1-3H3,(H,33,35).
What are the key properties of ethyl 1-[2-(1,2-diphenylethylamino)-2-oxoethyl]-6-methyl-4-(3-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate?
ethyl 1-[2-(1,2-diphenylethylamino)-2-oxoethyl]-6-methyl-4-(3-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate has a molecular weight of 510.63 g/mol, XLogP of 5.25, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(1,2-diphenylethylamino)-2-oxoethyl]-6-methyl-4-(3-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate is sourced from PubChem (CID 3916593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).