2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-methyl-N-phenylacetamide

C24H28N2O5 — CID 11524672

IUPAC2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-methyl-N-phenylacetamide
SMILESCOc1ccc([C@@H]2CC(=O)N(CC(=O)N(C)c3ccccc3)C2)cc1O[C@@H]1CCOC1
InChIInChI=1S/C24H28N2O5/c1-25(19-6-4-3-5-7-19)24(28)15-26-14-18(13-23(26)27)17-8-9-21(29-2)22(12-17)31-20-10-11-30-16-20/h3-9,12,18,20H,10-11,13-16H2,1-2H3/t18-,20-/m1/s1
InChIKeyDXEQYVIPSFMSEK-UYAOXDASSA-N
MW424.50 g/mol
LogP2.84
Rot. Bonds7

About 2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-methyl-N-phenylacetamide

2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-methyl-N-phenylacetamide (PubChem CID 11524672) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is 2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-methyl-N-phenylacetamide
PubChem CID11524672
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Name2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-methyl-N-phenylacetamide
SMILESCOc1ccc([C@@H]2CC(=O)N(CC(=O)N(C)c3ccccc3)C2)cc1O[C@@H]1CCOC1
InChIInChI=1S/C24H28N2O5/c1-25(19-6-4-3-5-7-19)24(28)15-26-14-18(13-23(26)27)17-8-9-21(29-2)22(12-17)31-20-10-11-30-16-20/h3-9,12,18,20H,10-11,13-16H2,1-2H3/t18-,20-/m1/s1
InChIKeyDXEQYVIPSFMSEK-UYAOXDASSA-N
XLogP2.84
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.84
H-Bond Donors ≤ 50
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-methyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 11698011
2-[(4R)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 10137168
2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 68685351
N-(6-bromo-2-pyridinyl)-2-[4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide
CID 87540515
N-(2,3-difluorophenyl)-2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide
CID 68682136
N-ethyl-2-[4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 153009223
N-[2-(benzenesulfonyl)thiophen-3-yl]-2-[4-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-2-oxopyrrolidin-1-yl]acetamide
CID 69052924
N-(3-fluoro-4-methylphenyl)-2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]acetamide
CID 11476245
2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-(2-methoxyphenyl)-N-methylacetamide
CID 91099332
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-(3-methoxy-1,2,4-thiadiazol-5-yl)acetamide
CID 11561428
2-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetyl chloride
CID 23614685

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-methyl-N-phenylacetamide (CID 11524672) is 2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-methyl-N-phenylacetamide is COc1ccc([C@@H]2CC(=O)N(CC(=O)N(C)c3ccccc3)C2)cc1O[C@@H]1CCOC1.
What is the InChIKey of 2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-methyl-N-phenylacetamide?
The InChIKey is DXEQYVIPSFMSEK-UYAOXDASSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-25(19-6-4-3-5-7-19)24(28)15-26-14-18(13-23(26)27)17-8-9-21(29-2)22(12-17)31-20-10-11-30-16-20/h3-9,12,18,20H,10-11,13-16H2,1-2H3/t18-,20-/m1/s1.
What are the key properties of 2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-methyl-N-phenylacetamide?
2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-methyl-N-phenylacetamide has a molecular weight of 424.50 g/mol, XLogP of 2.84, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 11524672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).