(3R)-N-[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C23H27N3O5 — CID 7553377

IUPAC(3R)-N-[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccc(NC(=O)[C@H](C)NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C23H27N3O5/c1-4-31-20-9-5-17(6-10-20)25-22(28)15(2)24-23(29)16-13-21(27)26(14-16)18-7-11-19(30-3)12-8-18/h5-12,15-16H,4,13-14H2,1-3H3,(H,24,29)(H,25,28)/t15-,16+/m0/s1
InChIKeySBEYBASCBZDENP-JKSUJKDBSA-N
MW425.49 g/mol
LogP2.59
Rot. Bonds8

About (3R)-N-[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 7553377) has the molecular formula C23H27N3O5 and a molecular weight of 425.49 g/mol. Its IUPAC name is (3R)-N-[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID7553377
Molecular FormulaC23H27N3O5
Molecular Weight425.49 g/mol
Exact Mass425.20
IUPAC Name(3R)-N-[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccc(NC(=O)[C@H](C)NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C23H27N3O5/c1-4-31-20-9-5-17(6-10-20)25-22(28)15(2)24-23(29)16-13-21(27)26(14-16)18-7-11-19(30-3)12-8-18/h5-12,15-16H,4,13-14H2,1-3H3,(H,24,29)(H,25,28)/t15-,16+/m0/s1
InChIKeySBEYBASCBZDENP-JKSUJKDBSA-N
XLogP2.59
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-N-[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)-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-acetamidophenyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3342359
(3R)-N,1-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704239
N-(4-butoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785661
(3R)-N-[(2S)-1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7095385
(3S)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673163
(3S)-1-(4-ethoxyphenyl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 988212
(3R)-1-(4-ethoxyphenyl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 988215
(3S)-N-(4-ethoxyphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 7325492
3-[[(2S)-2-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]amino]propanoate
CID 7096145
N-(4-ethoxyphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 3693269
(3S)-1-(4-ethoxyphenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1072645
(3R)-1-[4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 126160735

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 7553377) is (3R)-N-[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is CCOc1ccc(NC(=O)[C@H](C)NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1.
What is the InChIKey of (3R)-N-[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SBEYBASCBZDENP-JKSUJKDBSA-N. The full InChI is InChI=1S/C23H27N3O5/c1-4-31-20-9-5-17(6-10-20)25-22(28)15(2)24-23(29)16-13-21(27)26(14-16)18-7-11-19(30-3)12-8-18/h5-12,15-16H,4,13-14H2,1-3H3,(H,24,29)(H,25,28)/t15-,16+/m0/s1.
What are the key properties of (3R)-N-[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 7553377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).