2-methylpropyl 1-(2-ethoxy-2-oxoethyl)-6-methyl-2-oxo-4-(4-propan-2-ylphenyl)-3,4-dihydropyridine-5-carboxylate

C24H33NO5 — CID 42854921

IUPAC2-methylpropyl 1-(2-ethoxy-2-oxoethyl)-6-methyl-2-oxo-4-(4-propan-2-ylphenyl)-3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)CN1C(=O)CC(c2ccc(C(C)C)cc2)C(C(=O)OCC(C)C)=C1C
InChIInChI=1S/C24H33NO5/c1-7-29-22(27)13-25-17(6)23(24(28)30-14-15(2)3)20(12-21(25)26)19-10-8-18(9-11-19)16(4)5/h8-11,15-16,20H,7,12-14H2,1-6H3
InChIKeyGVQNMGXTSCVZFJ-UHFFFAOYSA-N
MW415.53 g/mol
LogP4.16
Rot. Bonds8

About 2-methylpropyl 1-(2-ethoxy-2-oxoethyl)-6-methyl-2-oxo-4-(4-propan-2-ylphenyl)-3,4-dihydropyridine-5-carboxylate

2-methylpropyl 1-(2-ethoxy-2-oxoethyl)-6-methyl-2-oxo-4-(4-propan-2-ylphenyl)-3,4-dihydropyridine-5-carboxylate (PubChem CID 42854921) has the molecular formula C24H33NO5 and a molecular weight of 415.53 g/mol. Its IUPAC name is 2-methylpropyl 1-(2-ethoxy-2-oxoethyl)-6-methyl-2-oxo-4-(4-propan-2-ylphenyl)-3,4-dihydropyridine-5-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 1-(2-ethoxy-2-oxoethyl)-6-methyl-2-oxo-4-(4-propan-2-ylphenyl)-3,4-dihydropyridine-5-carboxylate
PubChem CID42854921
Molecular FormulaC24H33NO5
Molecular Weight415.53 g/mol
Exact Mass415.24
IUPAC Name2-methylpropyl 1-(2-ethoxy-2-oxoethyl)-6-methyl-2-oxo-4-(4-propan-2-ylphenyl)-3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)CN1C(=O)CC(c2ccc(C(C)C)cc2)C(C(=O)OCC(C)C)=C1C
InChIInChI=1S/C24H33NO5/c1-7-29-22(27)13-25-17(6)23(24(28)30-14-15(2)3)20(12-21(25)26)19-10-8-18(9-11-19)16(4)5/h8-11,15-16,20H,7,12-14H2,1-6H3
InChIKeyGVQNMGXTSCVZFJ-UHFFFAOYSA-N
XLogP4.16
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 4-(4-tert-butylphenyl)-1-(2-ethoxy-2-oxoethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42854790
ethyl 1-[(2,4-difluorophenyl)methyl]-6-methyl-2-oxo-4-(4-propan-2-ylphenyl)-3,4-dihydropyridine-5-carboxylate
CID 42854459
ethyl 1-[(2,3-difluorophenyl)methyl]-6-methyl-2-oxo-4-(4-propan-2-ylphenyl)-3,4-dihydropyridine-5-carboxylate
CID 42854057
propan-2-yl 4-(3-chlorophenyl)-1-(2-ethoxy-2-oxoethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42854773
ethyl (4R)-4-(4-chlorophenyl)-6-methyl-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3,4-dihydropyridine-5-carboxylate
CID 7249189
2-methylpropyl 1-[(2,6-difluorophenyl)methyl]-4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42854903
ethyl 6-methyl-4-(4-methylphenyl)-2-oxo-1-[2-oxo-2-(1-phenylethylamino)ethyl]-3,4-dihydropyridine-5-carboxylate
CID 4015823
prop-2-enyl 1-[(2,6-difluorophenyl)methyl]-6-methyl-2-oxo-4-(4-propan-2-ylphenyl)-3,4-dihydropyridine-5-carboxylate
CID 42854723
ethyl 4-(4-chlorophenyl)-1-[2-(cyclopropylamino)-2-oxoethyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 4003631
ethyl (4S)-4-(4-chlorophenyl)-1-[2-(cyclopropylamino)-2-oxoethyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 7283283
ethyl 6-methyl-4-(4-methylphenyl)-2-oxo-1-[2-oxo-2-(propylamino)ethyl]-3,4-dihydropyridine-5-carboxylate
CID 42761268
2-methylpropyl (4R)-1-[(3-chlorophenyl)methyl]-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylate
CID 93291411

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 1-(2-ethoxy-2-oxoethyl)-6-methyl-2-oxo-4-(4-propan-2-ylphenyl)-3,4-dihydropyridine-5-carboxylate?
The IUPAC name of 2-methylpropyl 1-(2-ethoxy-2-oxoethyl)-6-methyl-2-oxo-4-(4-propan-2-ylphenyl)-3,4-dihydropyridine-5-carboxylate (CID 42854921) is 2-methylpropyl 1-(2-ethoxy-2-oxoethyl)-6-methyl-2-oxo-4-(4-propan-2-ylphenyl)-3,4-dihydropyridine-5-carboxylate.
What is the SMILES notation for 2-methylpropyl 1-(2-ethoxy-2-oxoethyl)-6-methyl-2-oxo-4-(4-propan-2-ylphenyl)-3,4-dihydropyridine-5-carboxylate?
The canonical SMILES for 2-methylpropyl 1-(2-ethoxy-2-oxoethyl)-6-methyl-2-oxo-4-(4-propan-2-ylphenyl)-3,4-dihydropyridine-5-carboxylate is CCOC(=O)CN1C(=O)CC(c2ccc(C(C)C)cc2)C(C(=O)OCC(C)C)=C1C.
What is the InChIKey of 2-methylpropyl 1-(2-ethoxy-2-oxoethyl)-6-methyl-2-oxo-4-(4-propan-2-ylphenyl)-3,4-dihydropyridine-5-carboxylate?
The InChIKey is GVQNMGXTSCVZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO5/c1-7-29-22(27)13-25-17(6)23(24(28)30-14-15(2)3)20(12-21(25)26)19-10-8-18(9-11-19)16(4)5/h8-11,15-16,20H,7,12-14H2,1-6H3.
What are the key properties of 2-methylpropyl 1-(2-ethoxy-2-oxoethyl)-6-methyl-2-oxo-4-(4-propan-2-ylphenyl)-3,4-dihydropyridine-5-carboxylate?
2-methylpropyl 1-(2-ethoxy-2-oxoethyl)-6-methyl-2-oxo-4-(4-propan-2-ylphenyl)-3,4-dihydropyridine-5-carboxylate has a molecular weight of 415.53 g/mol, XLogP of 4.16, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 1-(2-ethoxy-2-oxoethyl)-6-methyl-2-oxo-4-(4-propan-2-ylphenyl)-3,4-dihydropyridine-5-carboxylate is sourced from PubChem (CID 42854921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).