2-(1,3-dioxoisoindol-2-yl)ethyl 5-(ethylcarbamoyl)-2,6-dimethyl-4-(2-phenylmethoxyphenyl)-1,4-dihydropyridine-3-carboxylate

C34H33N3O6 — CID 19834157

IUPAC2-(1,3-dioxoisoindol-2-yl)ethyl 5-(ethylcarbamoyl)-2,6-dimethyl-4-(2-phenylmethoxyphenyl)-1,4-dihydropyridine-3-carboxylate
SMILESCCNC(=O)C1=C(C)NC(C)=C(C(=O)OCCN2C(=O)c3ccccc3C2=O)C1c1ccccc1OCc1ccccc1
InChIInChI=1S/C34H33N3O6/c1-4-35-31(38)28-21(2)36-22(3)29(30(28)26-16-10-11-17-27(26)43-20-23-12-6-5-7-13-23)34(41)42-19-18-37-32(39)24-14-8-9-15-25(24)33(37)40/h5-17,30,36H,4,18-20H2,1-3H3,(H,35,38)
InChIKeyQKFHRQUFTHVQIQ-UHFFFAOYSA-N
MW579.65 g/mol
LogP4.48
Rot. Bonds10

About 2-(1,3-dioxoisoindol-2-yl)ethyl 5-(ethylcarbamoyl)-2,6-dimethyl-4-(2-phenylmethoxyphenyl)-1,4-dihydropyridine-3-carboxylate

2-(1,3-dioxoisoindol-2-yl)ethyl 5-(ethylcarbamoyl)-2,6-dimethyl-4-(2-phenylmethoxyphenyl)-1,4-dihydropyridine-3-carboxylate (PubChem CID 19834157) has the molecular formula C34H33N3O6 and a molecular weight of 579.65 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)ethyl 5-(ethylcarbamoyl)-2,6-dimethyl-4-(2-phenylmethoxyphenyl)-1,4-dihydropyridine-3-carboxylate.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)ethyl 5-(ethylcarbamoyl)-2,6-dimethyl-4-(2-phenylmethoxyphenyl)-1,4-dihydropyridine-3-carboxylate
PubChem CID19834157
Molecular FormulaC34H33N3O6
Molecular Weight579.65 g/mol
Exact Mass579.24
IUPAC Name2-(1,3-dioxoisoindol-2-yl)ethyl 5-(ethylcarbamoyl)-2,6-dimethyl-4-(2-phenylmethoxyphenyl)-1,4-dihydropyridine-3-carboxylate
SMILESCCNC(=O)C1=C(C)NC(C)=C(C(=O)OCCN2C(=O)c3ccccc3C2=O)C1c1ccccc1OCc1ccccc1
InChIInChI=1S/C34H33N3O6/c1-4-35-31(38)28-21(2)36-22(3)29(30(28)26-16-10-11-17-27(26)43-20-23-12-6-5-7-13-23)34(41)42-19-18-37-32(39)24-14-8-9-15-25(24)33(37)40/h5-17,30,36H,4,18-20H2,1-3H3,(H,35,38)
InChIKeyQKFHRQUFTHVQIQ-UHFFFAOYSA-N
XLogP4.48
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.65
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(1,3-dioxoisoindol-2-yl)ethyl 5-(ethylcarbamoyl)-2,6-dimethyl-4-(2-phenylmethoxyphenyl)-1,4-dihydropyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-phenylpropyl 2,6-dimethyl-5-(methylcarbamoyl)-4-(2-phenylmethoxyphenyl)-1,4-dihydropyridine-3-carboxylate
CID 19834154
methanamine;3-phenylpropyl 5-(cyclopropylcarbamoyl)-2,6-dimethyl-4-(2-phenylmethoxyphenyl)-1,4-dihydropyridine-3-carboxylate
CID 19834166
2-aminoethyl 5-carbamoyl-2,6-dimethyl-4-(2-phenylmethoxyphenyl)-1,4-dihydropyridine-3-carboxylate
CID 67932000
methyl 2-methyl-5-oxo-4-(2-phenylmethoxyphenyl)-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
CID 2888971
propyl 2-methyl-5-oxo-4-(2-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 3128851
2-methoxyethyl (4R)-2,7,7-trimethyl-5-oxo-4-(2-phenylmethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 38989652
dimethyl 1-(2-methoxyethyl)-4-(2-phenylmethoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 2172343
ethyl 4-[2-[(4-fluorophenyl)methoxy]phenyl]-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
CID 3143461
N-benzyl-6-methyl-2-oxo-4-(2-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2984592
methyl 5-(butylcarbamoylamino)-2,6-dimethyl-4-[2-[(4-methylphenyl)methoxy]phenyl]-1,4-dihydropyridine-3-carboxylate
CID 13242156
benzyl (4R)-6-methyl-4-(2-phenylmethoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 41072571
3-O-ethyl 6-O-methyl (4S,6S,7R)-2,7-dimethyl-5-oxo-4-(2-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate
CID 51705465

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)ethyl 5-(ethylcarbamoyl)-2,6-dimethyl-4-(2-phenylmethoxyphenyl)-1,4-dihydropyridine-3-carboxylate?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)ethyl 5-(ethylcarbamoyl)-2,6-dimethyl-4-(2-phenylmethoxyphenyl)-1,4-dihydropyridine-3-carboxylate (CID 19834157) is 2-(1,3-dioxoisoindol-2-yl)ethyl 5-(ethylcarbamoyl)-2,6-dimethyl-4-(2-phenylmethoxyphenyl)-1,4-dihydropyridine-3-carboxylate.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)ethyl 5-(ethylcarbamoyl)-2,6-dimethyl-4-(2-phenylmethoxyphenyl)-1,4-dihydropyridine-3-carboxylate?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)ethyl 5-(ethylcarbamoyl)-2,6-dimethyl-4-(2-phenylmethoxyphenyl)-1,4-dihydropyridine-3-carboxylate is CCNC(=O)C1=C(C)NC(C)=C(C(=O)OCCN2C(=O)c3ccccc3C2=O)C1c1ccccc1OCc1ccccc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)ethyl 5-(ethylcarbamoyl)-2,6-dimethyl-4-(2-phenylmethoxyphenyl)-1,4-dihydropyridine-3-carboxylate?
The InChIKey is QKFHRQUFTHVQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33N3O6/c1-4-35-31(38)28-21(2)36-22(3)29(30(28)26-16-10-11-17-27(26)43-20-23-12-6-5-7-13-23)34(41)42-19-18-37-32(39)24-14-8-9-15-25(24)33(37)40/h5-17,30,36H,4,18-20H2,1-3H3,(H,35,38).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)ethyl 5-(ethylcarbamoyl)-2,6-dimethyl-4-(2-phenylmethoxyphenyl)-1,4-dihydropyridine-3-carboxylate?
2-(1,3-dioxoisoindol-2-yl)ethyl 5-(ethylcarbamoyl)-2,6-dimethyl-4-(2-phenylmethoxyphenyl)-1,4-dihydropyridine-3-carboxylate has a molecular weight of 579.65 g/mol, XLogP of 4.48, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)ethyl 5-(ethylcarbamoyl)-2,6-dimethyl-4-(2-phenylmethoxyphenyl)-1,4-dihydropyridine-3-carboxylate is sourced from PubChem (CID 19834157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).