2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-phenylacetamide

C23H26N2O5 — CID 69370077

IUPAC2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-phenylacetamide
SMILESCOc1ccc([C@@H]2CC(=O)N(CC(=O)Nc3ccccc3)C2)cc1OC1CCCO1
InChIInChI=1S/C23H26N2O5/c1-28-19-10-9-16(12-20(19)30-23-8-5-11-29-23)17-13-22(27)25(14-17)15-21(26)24-18-6-3-2-4-7-18/h2-4,6-7,9-10,12,17,23H,5,8,11,13-15H2,1H3,(H,24,26)/t17-,23?/m1/s1
InChIKeyXMGWJPNDTLCZLA-LIXIDFRTSA-N
MW410.47 g/mol
LogP3.17
Rot. Bonds7

About 2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-phenylacetamide

2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-phenylacetamide (PubChem CID 69370077) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is 2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-phenylacetamide
PubChem CID69370077
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Name2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-phenylacetamide
SMILESCOc1ccc([C@@H]2CC(=O)N(CC(=O)Nc3ccccc3)C2)cc1OC1CCCO1
InChIInChI=1S/C23H26N2O5/c1-28-19-10-9-16(12-20(19)30-23-8-5-11-29-23)17-13-22(27)25(14-17)15-21(26)24-18-6-3-2-4-7-18/h2-4,6-7,9-10,12,17,23H,5,8,11,13-15H2,1H3,(H,24,26)/t17-,23?/m1/s1
InChIKeyXMGWJPNDTLCZLA-LIXIDFRTSA-N
XLogP3.17
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-phenylacetamide (CID 69370077) is 2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-phenylacetamide is COc1ccc([C@@H]2CC(=O)N(CC(=O)Nc3ccccc3)C2)cc1OC1CCCO1.
What is the InChIKey of 2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-phenylacetamide?
The InChIKey is XMGWJPNDTLCZLA-LIXIDFRTSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-28-19-10-9-16(12-20(19)30-23-8-5-11-29-23)17-13-22(27)25(14-17)15-21(26)24-18-6-3-2-4-7-18/h2-4,6-7,9-10,12,17,23H,5,8,11,13-15H2,1H3,(H,24,26)/t17-,23?/m1/s1.
What are the key properties of 2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-phenylacetamide?
2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-phenylacetamide has a molecular weight of 410.47 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 69370077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).