5-(2-methoxyethoxycarbonyl)-4-(3-methoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3-carboxylic acid

C19H23NO6 — CID 54176681

IUPAC5-(2-methoxyethoxycarbonyl)-4-(3-methoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3-carboxylic acid
SMILESCOCCOC(=O)C1=C(C)N=C(C)C(C(=O)O)C1c1cccc(OC)c1
InChIInChI=1S/C19H23NO6/c1-11-15(18(21)22)17(13-6-5-7-14(10-13)25-4)16(12(2)20-11)19(23)26-9-8-24-3/h5-7,10,15,17H,8-9H2,1-4H3,(H,21,22)
InChIKeyOYWPJHFPWYSICO-UHFFFAOYSA-N
MW361.39 g/mol
LogP2.42
Rot. Bonds7

About 5-(2-methoxyethoxycarbonyl)-4-(3-methoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3-carboxylic acid

5-(2-methoxyethoxycarbonyl)-4-(3-methoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3-carboxylic acid (PubChem CID 54176681) has the molecular formula C19H23NO6 and a molecular weight of 361.39 g/mol. Its IUPAC name is 5-(2-methoxyethoxycarbonyl)-4-(3-methoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-methoxyethoxycarbonyl)-4-(3-methoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3-carboxylic acid
PubChem CID54176681
Molecular FormulaC19H23NO6
Molecular Weight361.39 g/mol
Exact Mass361.15
IUPAC Name5-(2-methoxyethoxycarbonyl)-4-(3-methoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3-carboxylic acid
SMILESCOCCOC(=O)C1=C(C)N=C(C)C(C(=O)O)C1c1cccc(OC)c1
InChIInChI=1S/C19H23NO6/c1-11-15(18(21)22)17(13-6-5-7-14(10-13)25-4)16(12(2)20-11)19(23)26-9-8-24-3/h5-7,10,15,17H,8-9H2,1-4H3,(H,21,22)
InChIKeyOYWPJHFPWYSICO-UHFFFAOYSA-N
XLogP2.42
TPSA94.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

bis(2-methoxyethyl) 2,6-dimethyl-4-pyridin-3-yl-3,4-dihydropyridine-3,5-dicarboxylate
CID 57306082
5-O-(2-cyanoethyl) 3-O-(2-methoxyethyl) 4-(3-aminophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate
CID 54244166
2-methoxyethyl (4R)-4-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7066570
5-O-(2-methoxyethyl) 3-O-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate
CID 54326746
2-methoxyethyl (4R,7S)-4-(3-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7090136
diethyl (4S)-4-(4-methoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate
CID 7073063
4-(3-chlorophenyl)-5-[3-(2-methoxyphenyl)prop-2-enoxycarbonyl]-2,6-dimethyl-3,4-dihydropyridine-3-carboxylic acid
CID 54558931
3-O-(cyclohexylmethyl) 5-O-(2-methoxyethyl) 2,6-dimethyl-4-pyridin-3-yl-3,4-dihydropyridine-3,5-dicarboxylate
CID 54121446
5-O-[3-[4-(2-methoxyethyl)phenoxy]propyl] 3-O-methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate
CID 54261602
2,6-dimethyl-4-[3-(methylamino)phenyl]-3,4-dihydropyridine-3,5-dicarboxylic acid
CID 54130016
3-O-methyl 5-O-propyl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate
CID 57080104
bis(3-methylbutyl) (4R)-2,6-dimethyl-4-phenyl-3,4-dihydropyridine-3,5-dicarboxylate
CID 7452163

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethoxycarbonyl)-4-(3-methoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3-carboxylic acid?
The IUPAC name of 5-(2-methoxyethoxycarbonyl)-4-(3-methoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3-carboxylic acid (CID 54176681) is 5-(2-methoxyethoxycarbonyl)-4-(3-methoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3-carboxylic acid.
What is the SMILES notation for 5-(2-methoxyethoxycarbonyl)-4-(3-methoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3-carboxylic acid?
The canonical SMILES for 5-(2-methoxyethoxycarbonyl)-4-(3-methoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3-carboxylic acid is COCCOC(=O)C1=C(C)N=C(C)C(C(=O)O)C1c1cccc(OC)c1.
What is the InChIKey of 5-(2-methoxyethoxycarbonyl)-4-(3-methoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3-carboxylic acid?
The InChIKey is OYWPJHFPWYSICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO6/c1-11-15(18(21)22)17(13-6-5-7-14(10-13)25-4)16(12(2)20-11)19(23)26-9-8-24-3/h5-7,10,15,17H,8-9H2,1-4H3,(H,21,22).
What are the key properties of 5-(2-methoxyethoxycarbonyl)-4-(3-methoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3-carboxylic acid?
5-(2-methoxyethoxycarbonyl)-4-(3-methoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3-carboxylic acid has a molecular weight of 361.39 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethoxycarbonyl)-4-(3-methoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3-carboxylic acid is sourced from PubChem (CID 54176681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).