(3R)-N-benzyl-1-(2,4-dimethoxyphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide

C23H28N2O4 — CID 9351346

IUPAC(3R)-N-benzyl-1-(2,4-dimethoxyphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCOc1ccc(N2C[C@H](C(=O)N(Cc3ccccc3)C(C)C)CC2=O)c(OC)c1
InChIInChI=1S/C23H28N2O4/c1-16(2)24(14-17-8-6-5-7-9-17)23(27)18-12-22(26)25(15-18)20-11-10-19(28-3)13-21(20)29-4/h5-11,13,16,18H,12,14-15H2,1-4H3/t18-/m1/s1
InChIKeyRGMZDDDGAPTKKH-GOSISDBHSA-N
MW396.49 g/mol
LogP3.49
Rot. Bonds7

About (3R)-N-benzyl-1-(2,4-dimethoxyphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide

(3R)-N-benzyl-1-(2,4-dimethoxyphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 9351346) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is (3R)-N-benzyl-1-(2,4-dimethoxyphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-benzyl-1-(2,4-dimethoxyphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID9351346
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name(3R)-N-benzyl-1-(2,4-dimethoxyphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCOc1ccc(N2C[C@H](C(=O)N(Cc3ccccc3)C(C)C)CC2=O)c(OC)c1
InChIInChI=1S/C23H28N2O4/c1-16(2)24(14-17-8-6-5-7-9-17)23(27)18-12-22(26)25(15-18)20-11-10-19(28-3)13-21(20)29-4/h5-11,13,16,18H,12,14-15H2,1-4H3/t18-/m1/s1
InChIKeyRGMZDDDGAPTKKH-GOSISDBHSA-N
XLogP3.49
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R)-N-benzyl-1-(2,4-dimethoxyphenyl)-5-oxo-N-propan-2-ylpyrrolidine-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

3-[[1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-propan-2-ylamino]propanoic acid
CID 120686530
N-benzyl-1-(2,6-difluorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113192275
N-benzyl-5-oxo-N-propan-2-yl-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113186693
N-benzyl-1-(3-fluorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113190164
1-(2,4-dimethoxyphenyl)-N-ethyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 75870162
(3S)-N,N-bis(cyanomethyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9351324
(3R)-1-(2,4-dimethoxyphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 40720280
(3S)-N-benzhydryl-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40965651
N-benzyl-1-(4-cyanophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113192006
4-[[1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid
CID 120689383
N-benzyl-5-oxo-N-propan-2-yl-1-pyridin-3-ylpyrrolidine-3-carboxamide
CID 110684524
1-(2,4-dimethoxyphenyl)-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 119500040

Frequently Asked Questions

What is the IUPAC name of (3R)-N-benzyl-1-(2,4-dimethoxyphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-benzyl-1-(2,4-dimethoxyphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide (CID 9351346) is (3R)-N-benzyl-1-(2,4-dimethoxyphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-benzyl-1-(2,4-dimethoxyphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-benzyl-1-(2,4-dimethoxyphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide is COc1ccc(N2C[C@H](C(=O)N(Cc3ccccc3)C(C)C)CC2=O)c(OC)c1.
What is the InChIKey of (3R)-N-benzyl-1-(2,4-dimethoxyphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is RGMZDDDGAPTKKH-GOSISDBHSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-16(2)24(14-17-8-6-5-7-9-17)23(27)18-12-22(26)25(15-18)20-11-10-19(28-3)13-21(20)29-4/h5-11,13,16,18H,12,14-15H2,1-4H3/t18-/m1/s1.
What are the key properties of (3R)-N-benzyl-1-(2,4-dimethoxyphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
(3R)-N-benzyl-1-(2,4-dimethoxyphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-benzyl-1-(2,4-dimethoxyphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 9351346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).