ethyl 1-[[5-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]furan-2-yl]methyl]-6-methyl-2-oxo-4-phenyl-3,4-dihydropyridine-5-carboxylate

C31H34N2O7 — CID 5189071

IUPACethyl 1-[[5-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]furan-2-yl]methyl]-6-methyl-2-oxo-4-phenyl-3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(Cc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)o2)C(=O)CC1c1ccccc1
InChIInChI=1S/C31H34N2O7/c1-5-39-31(36)29-20(2)33(28(34)18-24(29)22-9-7-6-8-10-22)19-23-12-14-26(40-23)30(35)32-16-15-21-11-13-25(37-3)27(17-21)38-4/h6-14,17,24H,5,15-16,18-19H2,1-4H3,(H,32,35)
InChIKeyZPOJNEIQYLDLTC-UHFFFAOYSA-N
MW546.62 g/mol
LogP4.62
Rot. Bonds11

About ethyl 1-[[5-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]furan-2-yl]methyl]-6-methyl-2-oxo-4-phenyl-3,4-dihydropyridine-5-carboxylate

ethyl 1-[[5-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]furan-2-yl]methyl]-6-methyl-2-oxo-4-phenyl-3,4-dihydropyridine-5-carboxylate (PubChem CID 5189071) has the molecular formula C31H34N2O7 and a molecular weight of 546.62 g/mol. Its IUPAC name is ethyl 1-[[5-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]furan-2-yl]methyl]-6-methyl-2-oxo-4-phenyl-3,4-dihydropyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[5-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]furan-2-yl]methyl]-6-methyl-2-oxo-4-phenyl-3,4-dihydropyridine-5-carboxylate
PubChem CID5189071
Molecular FormulaC31H34N2O7
Molecular Weight546.62 g/mol
Exact Mass546.24
IUPAC Nameethyl 1-[[5-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]furan-2-yl]methyl]-6-methyl-2-oxo-4-phenyl-3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(Cc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)o2)C(=O)CC1c1ccccc1
InChIInChI=1S/C31H34N2O7/c1-5-39-31(36)29-20(2)33(28(34)18-24(29)22-9-7-6-8-10-22)19-23-12-14-26(40-23)30(35)32-16-15-21-11-13-25(37-3)27(17-21)38-4/h6-14,17,24H,5,15-16,18-19H2,1-4H3,(H,32,35)
InChIKeyZPOJNEIQYLDLTC-UHFFFAOYSA-N
XLogP4.62
TPSA107.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.62
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 1-[[5-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]furan-2-yl]methyl]-6-methyl-2-oxo-4-phenyl-3,4-dihydropyridine-5-carboxylate with MolForge

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Related Compounds

ethyl (4R)-6-methyl-2-oxo-4-phenyl-1-[[5-(propylcarbamoyl)furan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate
CID 7440057
ethyl 6-methyl-1-[[5-(3-methylbutylcarbamoyl)furan-2-yl]methyl]-2-oxo-4-phenyl-3,4-dihydropyridine-5-carboxylate
CID 4290824
ethyl 1-[[5-(hexylcarbamoyl)furan-2-yl]methyl]-6-methyl-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydropyridine-5-carboxylate
CID 4619626
ethyl 4-(4-chlorophenyl)-1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42761245
ethyl 6-methyl-2-oxo-4-phenyl-1-[[5-(pyrrolidine-1-carbonyl)furan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate
CID 3900834
ethyl (4S)-1-[(5-methoxycarbonylfuran-2-yl)methyl]-6-methyl-4-(3-nitrophenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 93331639
ethyl 1-[[4-[2-(3,4-dimethoxyphenyl)ethyl-methylcarbamoyl]phenyl]methyl]-6-methyl-4-(4-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 4001648
prop-2-enyl 1-[(5-methoxycarbonylfuran-2-yl)methyl]-4-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42854252
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414041
ethyl 6-methyl-4-(4-methylphenyl)-2-oxo-1-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4-dihydropyridine-5-carboxylate
CID 42761267
ethyl 1-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-oxoethyl]-4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42761315
ethyl 4-(2-chlorophenyl)-1-[[3-[2-(3,4-dimethoxyphenyl)ethyl-methylcarbamoyl]phenyl]methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 4535044

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[5-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]furan-2-yl]methyl]-6-methyl-2-oxo-4-phenyl-3,4-dihydropyridine-5-carboxylate?
The IUPAC name of ethyl 1-[[5-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]furan-2-yl]methyl]-6-methyl-2-oxo-4-phenyl-3,4-dihydropyridine-5-carboxylate (CID 5189071) is ethyl 1-[[5-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]furan-2-yl]methyl]-6-methyl-2-oxo-4-phenyl-3,4-dihydropyridine-5-carboxylate.
What is the SMILES notation for ethyl 1-[[5-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]furan-2-yl]methyl]-6-methyl-2-oxo-4-phenyl-3,4-dihydropyridine-5-carboxylate?
The canonical SMILES for ethyl 1-[[5-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]furan-2-yl]methyl]-6-methyl-2-oxo-4-phenyl-3,4-dihydropyridine-5-carboxylate is CCOC(=O)C1=C(C)N(Cc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)o2)C(=O)CC1c1ccccc1.
What is the InChIKey of ethyl 1-[[5-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]furan-2-yl]methyl]-6-methyl-2-oxo-4-phenyl-3,4-dihydropyridine-5-carboxylate?
The InChIKey is ZPOJNEIQYLDLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N2O7/c1-5-39-31(36)29-20(2)33(28(34)18-24(29)22-9-7-6-8-10-22)19-23-12-14-26(40-23)30(35)32-16-15-21-11-13-25(37-3)27(17-21)38-4/h6-14,17,24H,5,15-16,18-19H2,1-4H3,(H,32,35).
What are the key properties of ethyl 1-[[5-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]furan-2-yl]methyl]-6-methyl-2-oxo-4-phenyl-3,4-dihydropyridine-5-carboxylate?
ethyl 1-[[5-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]furan-2-yl]methyl]-6-methyl-2-oxo-4-phenyl-3,4-dihydropyridine-5-carboxylate has a molecular weight of 546.62 g/mol, XLogP of 4.62, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[5-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]furan-2-yl]methyl]-6-methyl-2-oxo-4-phenyl-3,4-dihydropyridine-5-carboxylate is sourced from PubChem (CID 5189071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).