1-[2-(2,4-dimethoxyphenyl)ethyl]-N-(9-ethylcarbazol-3-yl)-5-oxopyrrolidine-3-carboxamide

C29H31N3O4 — CID 174466279

IUPAC1-[2-(2,4-dimethoxyphenyl)ethyl]-N-(9-ethylcarbazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCCn1c2ccccc2c2cc(NC(=O)C3CC(=O)N(CCc4ccc(OC)cc4OC)C3)ccc21
InChIInChI=1S/C29H31N3O4/c1-4-32-25-8-6-5-7-23(25)24-16-21(10-12-26(24)32)30-29(34)20-15-28(33)31(18-20)14-13-19-9-11-22(35-2)17-27(19)36-3/h5-12,16-17,20H,4,13-15,18H2,1-3H3,(H,30,34)
InChIKeyBXAQGZXCECLIQW-UHFFFAOYSA-N
MW485.58 g/mol
LogP4.86
Rot. Bonds8

About 1-[2-(2,4-dimethoxyphenyl)ethyl]-N-(9-ethylcarbazol-3-yl)-5-oxopyrrolidine-3-carboxamide

1-[2-(2,4-dimethoxyphenyl)ethyl]-N-(9-ethylcarbazol-3-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 174466279) has the molecular formula C29H31N3O4 and a molecular weight of 485.58 g/mol. Its IUPAC name is 1-[2-(2,4-dimethoxyphenyl)ethyl]-N-(9-ethylcarbazol-3-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(2,4-dimethoxyphenyl)ethyl]-N-(9-ethylcarbazol-3-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID174466279
Molecular FormulaC29H31N3O4
Molecular Weight485.58 g/mol
Exact Mass485.23
IUPAC Name1-[2-(2,4-dimethoxyphenyl)ethyl]-N-(9-ethylcarbazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCCn1c2ccccc2c2cc(NC(=O)C3CC(=O)N(CCc4ccc(OC)cc4OC)C3)ccc21
InChIInChI=1S/C29H31N3O4/c1-4-32-25-8-6-5-7-23(25)24-16-21(10-12-26(24)32)30-29(34)20-15-28(33)31(18-20)14-13-19-9-11-22(35-2)17-27(19)36-3/h5-12,16-17,20H,4,13-15,18H2,1-3H3,(H,30,34)
InChIKeyBXAQGZXCECLIQW-UHFFFAOYSA-N
XLogP4.86
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.58
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(2,4-dimethoxyphenyl)ethyl]-N-(9-ethylcarbazol-3-yl)-5-oxopyrrolidine-3-carboxamide 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

N-(4-methoxyphenyl)-1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184453
(3R)-N-(9-ethylcarbazol-3-yl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 52909261
N-(9-ethylcarbazol-3-yl)-1-(2-hydroxy-2-phenylethyl)-5-oxopyrrolidine-3-carboxamide
CID 10151399
N-(9-ethylcarbazol-3-yl)-1-methyl-2-oxopiperidine-4-carboxamide
CID 71898551
[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 4833132
N-(4-acetylphenyl)-1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184463
N-(4-tert-butylphenyl)-1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184440
N-(3,4-dimethoxyphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 46797618
1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113184435
(3S)-N-(3-acetamidophenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42560657
(3S)-N-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 93018180
N-(3,4-dimethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46172106

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethoxyphenyl)ethyl]-N-(9-ethylcarbazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(2,4-dimethoxyphenyl)ethyl]-N-(9-ethylcarbazol-3-yl)-5-oxopyrrolidine-3-carboxamide (CID 174466279) is 1-[2-(2,4-dimethoxyphenyl)ethyl]-N-(9-ethylcarbazol-3-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(2,4-dimethoxyphenyl)ethyl]-N-(9-ethylcarbazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(2,4-dimethoxyphenyl)ethyl]-N-(9-ethylcarbazol-3-yl)-5-oxopyrrolidine-3-carboxamide is CCn1c2ccccc2c2cc(NC(=O)C3CC(=O)N(CCc4ccc(OC)cc4OC)C3)ccc21.
What is the InChIKey of 1-[2-(2,4-dimethoxyphenyl)ethyl]-N-(9-ethylcarbazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BXAQGZXCECLIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O4/c1-4-32-25-8-6-5-7-23(25)24-16-21(10-12-26(24)32)30-29(34)20-15-28(33)31(18-20)14-13-19-9-11-22(35-2)17-27(19)36-3/h5-12,16-17,20H,4,13-15,18H2,1-3H3,(H,30,34).
What are the key properties of 1-[2-(2,4-dimethoxyphenyl)ethyl]-N-(9-ethylcarbazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
1-[2-(2,4-dimethoxyphenyl)ethyl]-N-(9-ethylcarbazol-3-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 485.58 g/mol, XLogP of 4.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethoxyphenyl)ethyl]-N-(9-ethylcarbazol-3-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 174466279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).