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

C25H30N2O6 — CID 91099332

IUPAC2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-(2-methoxyphenyl)-N-methylacetamide
SMILESCOc1ccc([C@@H]2CC(=O)N(CC(=O)N(C)c3ccccc3OC)C2)cc1OC1CCCO1
InChIInChI=1S/C25H30N2O6/c1-26(19-7-4-5-8-20(19)30-2)24(29)16-27-15-18(14-23(27)28)17-10-11-21(31-3)22(13-17)33-25-9-6-12-32-25/h4-5,7-8,10-11,13,18,25H,6,9,12,14-16H2,1-3H3/t18-,25?/m1/s1
InChIKeyDNZWYKGEGXERQA-YDONVPIESA-N
MW454.52 g/mol
LogP3.20
Rot. Bonds8

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

2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-(2-methoxyphenyl)-N-methylacetamide (PubChem CID 91099332) has the molecular formula C25H30N2O6 and a molecular weight of 454.52 g/mol. Its IUPAC name is 2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-(2-methoxyphenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-(2-methoxyphenyl)-N-methylacetamide
PubChem CID91099332
Molecular FormulaC25H30N2O6
Molecular Weight454.52 g/mol
Exact Mass454.21
IUPAC Name2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-(2-methoxyphenyl)-N-methylacetamide
SMILESCOc1ccc([C@@H]2CC(=O)N(CC(=O)N(C)c3ccccc3OC)C2)cc1OC1CCCO1
InChIInChI=1S/C25H30N2O6/c1-26(19-7-4-5-8-20(19)30-2)24(29)16-27-15-18(14-23(27)28)17-10-11-21(31-3)22(13-17)33-25-9-6-12-32-25/h4-5,7-8,10-11,13,18,25H,6,9,12,14-16H2,1-3H3/t18-,25?/m1/s1
InChIKeyDNZWYKGEGXERQA-YDONVPIESA-N
XLogP3.20
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.52
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-(2-methoxyphenyl)-N-methylacetamide?
The IUPAC name of 2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-(2-methoxyphenyl)-N-methylacetamide (CID 91099332) is 2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-(2-methoxyphenyl)-N-methylacetamide.
What is the SMILES notation for 2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-(2-methoxyphenyl)-N-methylacetamide?
The canonical SMILES for 2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-(2-methoxyphenyl)-N-methylacetamide is COc1ccc([C@@H]2CC(=O)N(CC(=O)N(C)c3ccccc3OC)C2)cc1OC1CCCO1.
What is the InChIKey of 2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-(2-methoxyphenyl)-N-methylacetamide?
The InChIKey is DNZWYKGEGXERQA-YDONVPIESA-N. The full InChI is InChI=1S/C25H30N2O6/c1-26(19-7-4-5-8-20(19)30-2)24(29)16-27-15-18(14-23(27)28)17-10-11-21(31-3)22(13-17)33-25-9-6-12-32-25/h4-5,7-8,10-11,13,18,25H,6,9,12,14-16H2,1-3H3/t18-,25?/m1/s1.
What are the key properties of 2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-(2-methoxyphenyl)-N-methylacetamide?
2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-(2-methoxyphenyl)-N-methylacetamide has a molecular weight of 454.52 g/mol, XLogP of 3.20, 8 rotatable bonds, 0 hydrogen bond donors, and 6 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-(2-methoxyphenyl)-N-methylacetamide is sourced from PubChem (CID 91099332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).