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

C26H30N2O4 — CID 4015823

IUPACethyl 6-methyl-4-(4-methylphenyl)-2-oxo-1-[2-oxo-2-(1-phenylethylamino)ethyl]-3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(CC(=O)NC(C)c2ccccc2)C(=O)CC1c1ccc(C)cc1
InChIInChI=1S/C26H30N2O4/c1-5-32-26(31)25-19(4)28(16-23(29)27-18(3)20-9-7-6-8-10-20)24(30)15-22(25)21-13-11-17(2)12-14-21/h6-14,18,22H,5,15-16H2,1-4H3,(H,27,29)
InChIKeyKHSGYOKXFWYOLB-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.03
Rot. Bonds7

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

ethyl 6-methyl-4-(4-methylphenyl)-2-oxo-1-[2-oxo-2-(1-phenylethylamino)ethyl]-3,4-dihydropyridine-5-carboxylate (PubChem CID 4015823) has the molecular formula C26H30N2O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is ethyl 6-methyl-4-(4-methylphenyl)-2-oxo-1-[2-oxo-2-(1-phenylethylamino)ethyl]-3,4-dihydropyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-4-(4-methylphenyl)-2-oxo-1-[2-oxo-2-(1-phenylethylamino)ethyl]-3,4-dihydropyridine-5-carboxylate
PubChem CID4015823
Molecular FormulaC26H30N2O4
Molecular Weight434.54 g/mol
Exact Mass434.22
IUPAC Nameethyl 6-methyl-4-(4-methylphenyl)-2-oxo-1-[2-oxo-2-(1-phenylethylamino)ethyl]-3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(CC(=O)NC(C)c2ccccc2)C(=O)CC1c1ccc(C)cc1
InChIInChI=1S/C26H30N2O4/c1-5-32-26(31)25-19(4)28(16-23(29)27-18(3)20-9-7-6-8-10-20)24(30)15-22(25)21-13-11-17(2)12-14-21/h6-14,18,22H,5,15-16H2,1-4H3,(H,27,29)
InChIKeyKHSGYOKXFWYOLB-UHFFFAOYSA-N
XLogP4.03
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

ethyl (4R)-4-(2-fluorophenyl)-6-methyl-2-oxo-1-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,4-dihydropyridine-5-carboxylate
CID 92517586
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-4-(3-methylphenyl)-2-oxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]-3,4-dihydropyridine-5-carboxylate
CID 3360745
ethyl 1-[2-(butylamino)-2-oxoethyl]-6-methyl-4-(4-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42761264
ethyl 1-[2-(1,2-diphenylethylamino)-2-oxoethyl]-6-methyl-4-(3-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 3916593
ethyl 1-[2-(benzhydrylamino)-2-oxoethyl]-4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 5025158
ethyl (4R)-6-methyl-2-oxo-1-[[4-[[(1R)-1-phenylethyl]carbamoyl]phenyl]methyl]-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylate
CID 98426825
ethyl 1-[2-(butan-2-ylamino)-2-oxoethyl]-4-(3,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42761295
ethyl 4-(3,4-dichlorophenyl)-6-methyl-1-[2-(4-methylanilino)-2-oxoethyl]-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 4210502
ethyl 6-methyl-1-[2-(3-methylbutylamino)-2-oxoethyl]-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydropyridine-5-carboxylate
CID 42761455
ethyl (4S)-4-(4-fluorophenyl)-6-methyl-2-oxo-1-[2-oxo-2-(propylamino)ethyl]-3,4-dihydropyridine-5-carboxylate
CID 7297585
ethyl (4S)-4-(4-chlorophenyl)-1-[2-(cyclopropylamino)-2-oxoethyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 7283283

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-4-(4-methylphenyl)-2-oxo-1-[2-oxo-2-(1-phenylethylamino)ethyl]-3,4-dihydropyridine-5-carboxylate?
The IUPAC name of ethyl 6-methyl-4-(4-methylphenyl)-2-oxo-1-[2-oxo-2-(1-phenylethylamino)ethyl]-3,4-dihydropyridine-5-carboxylate (CID 4015823) is ethyl 6-methyl-4-(4-methylphenyl)-2-oxo-1-[2-oxo-2-(1-phenylethylamino)ethyl]-3,4-dihydropyridine-5-carboxylate.
What is the SMILES notation for ethyl 6-methyl-4-(4-methylphenyl)-2-oxo-1-[2-oxo-2-(1-phenylethylamino)ethyl]-3,4-dihydropyridine-5-carboxylate?
The canonical SMILES for ethyl 6-methyl-4-(4-methylphenyl)-2-oxo-1-[2-oxo-2-(1-phenylethylamino)ethyl]-3,4-dihydropyridine-5-carboxylate is CCOC(=O)C1=C(C)N(CC(=O)NC(C)c2ccccc2)C(=O)CC1c1ccc(C)cc1.
What is the InChIKey of ethyl 6-methyl-4-(4-methylphenyl)-2-oxo-1-[2-oxo-2-(1-phenylethylamino)ethyl]-3,4-dihydropyridine-5-carboxylate?
The InChIKey is KHSGYOKXFWYOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4/c1-5-32-26(31)25-19(4)28(16-23(29)27-18(3)20-9-7-6-8-10-20)24(30)15-22(25)21-13-11-17(2)12-14-21/h6-14,18,22H,5,15-16H2,1-4H3,(H,27,29).
What are the key properties of ethyl 6-methyl-4-(4-methylphenyl)-2-oxo-1-[2-oxo-2-(1-phenylethylamino)ethyl]-3,4-dihydropyridine-5-carboxylate?
ethyl 6-methyl-4-(4-methylphenyl)-2-oxo-1-[2-oxo-2-(1-phenylethylamino)ethyl]-3,4-dihydropyridine-5-carboxylate has a molecular weight of 434.54 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-4-(4-methylphenyl)-2-oxo-1-[2-oxo-2-(1-phenylethylamino)ethyl]-3,4-dihydropyridine-5-carboxylate is sourced from PubChem (CID 4015823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).