2-[(4R)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(2-methylphenyl)acetamide

C24H28N2O5 — CID 10137168

IUPAC2-[(4R)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(2-methylphenyl)acetamide
SMILESCOc1ccc([C@H]2CC(=O)N(CC(=O)Nc3ccccc3C)C2)cc1O[C@@H]1CCOC1
InChIInChI=1S/C24H28N2O5/c1-16-5-3-4-6-20(16)25-23(27)14-26-13-18(12-24(26)28)17-7-8-21(29-2)22(11-17)31-19-9-10-30-15-19/h3-8,11,18-19H,9-10,12-15H2,1-2H3,(H,25,27)/t18-,19+/m0/s1
InChIKeyTVLMUYLXTHTOJH-RBUKOAKNSA-N
MW424.50 g/mol
LogP3.13
Rot. Bonds7

About 2-[(4R)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(2-methylphenyl)acetamide

2-[(4R)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(2-methylphenyl)acetamide (PubChem CID 10137168) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is 2-[(4R)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4R)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(2-methylphenyl)acetamide
PubChem CID10137168
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Name2-[(4R)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(2-methylphenyl)acetamide
SMILESCOc1ccc([C@H]2CC(=O)N(CC(=O)Nc3ccccc3C)C2)cc1O[C@@H]1CCOC1
InChIInChI=1S/C24H28N2O5/c1-16-5-3-4-6-20(16)25-23(27)14-26-13-18(12-24(26)28)17-7-8-21(29-2)22(11-17)31-19-9-10-30-15-19/h3-8,11,18-19H,9-10,12-15H2,1-2H3,(H,25,27)/t18-,19+/m0/s1
InChIKeyTVLMUYLXTHTOJH-RBUKOAKNSA-N
XLogP3.13
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 68685351
N-(2,3-difluorophenyl)-2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide
CID 68682136
N-(3-fluoro-4-methylphenyl)-2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide
CID 11476245
N-(6-bromo-2-pyridinyl)-2-[4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide
CID 87540515
N-[2-(benzenesulfonyl)thiophen-3-yl]-2-[4-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-2-oxopyrrolidin-1-yl]acetamide
CID 69052924
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide
CID 11190035
2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-methyl-N-phenylacetamide
CID 11524672
2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(3-methoxy-1,2,4-thiadiazol-5-yl)acetamide
CID 11561428
2-[(4S)-4-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-(4-propyl-3,4-dihydro-2H-azepin-5-yl)acetamide
CID 143219866
2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(5-pyrazin-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 11785249
2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 11698011
N-(2-methylphenyl)-2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 851505

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[(4R)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(2-methylphenyl)acetamide (CID 10137168) is 2-[(4R)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(4R)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[(4R)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(2-methylphenyl)acetamide is COc1ccc([C@H]2CC(=O)N(CC(=O)Nc3ccccc3C)C2)cc1O[C@@H]1CCOC1.
What is the InChIKey of 2-[(4R)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is TVLMUYLXTHTOJH-RBUKOAKNSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-16-5-3-4-6-20(16)25-23(27)14-26-13-18(12-24(26)28)17-7-8-21(29-2)22(11-17)31-19-9-10-30-15-19/h3-8,11,18-19H,9-10,12-15H2,1-2H3,(H,25,27)/t18-,19+/m0/s1.
What are the key properties of 2-[(4R)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(2-methylphenyl)acetamide?
2-[(4R)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 424.50 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 10137168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).