2-[(3S)-1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(2R)-2-hydroxy-2-phenylethyl]-N-methylacetamide

C27H32N2O5 — CID 26351202

IUPAC2-[(3S)-1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(2R)-2-hydroxy-2-phenylethyl]-N-methylacetamide
SMILESCOc1ccc([C@]2(CC(=O)N(C)C[C@H](O)c3ccccc3)CC(=O)N(C3CCCC3)C2=O)cc1
InChIInChI=1S/C27H32N2O5/c1-28(18-23(30)19-8-4-3-5-9-19)24(31)16-27(20-12-14-22(34-2)15-13-20)17-25(32)29(26(27)33)21-10-6-7-11-21/h3-5,8-9,12-15,21,23,30H,6-7,10-11,16-18H2,1-2H3/t23-,27-/m0/s1
InChIKeyOFVJMBURDAFPIS-HOFKKMOUSA-N
MW464.56 g/mol
LogP3.22
Rot. Bonds8

About 2-[(3S)-1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(2R)-2-hydroxy-2-phenylethyl]-N-methylacetamide

2-[(3S)-1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(2R)-2-hydroxy-2-phenylethyl]-N-methylacetamide (PubChem CID 26351202) has the molecular formula C27H32N2O5 and a molecular weight of 464.56 g/mol. Its IUPAC name is 2-[(3S)-1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(2R)-2-hydroxy-2-phenylethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(3S)-1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(2R)-2-hydroxy-2-phenylethyl]-N-methylacetamide
PubChem CID26351202
Molecular FormulaC27H32N2O5
Molecular Weight464.56 g/mol
Exact Mass464.23
IUPAC Name2-[(3S)-1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(2R)-2-hydroxy-2-phenylethyl]-N-methylacetamide
SMILESCOc1ccc([C@]2(CC(=O)N(C)C[C@H](O)c3ccccc3)CC(=O)N(C3CCCC3)C2=O)cc1
InChIInChI=1S/C27H32N2O5/c1-28(18-23(30)19-8-4-3-5-9-19)24(31)16-27(20-12-14-22(34-2)15-13-20)17-25(32)29(26(27)33)21-10-6-7-11-21/h3-5,8-9,12-15,21,23,30H,6-7,10-11,16-18H2,1-2H3/t23-,27-/m0/s1
InChIKeyOFVJMBURDAFPIS-HOFKKMOUSA-N
XLogP3.22
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.56
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(2R)-2-hydroxy-2-phenylethyl]-N-methylacetamide?
The IUPAC name of 2-[(3S)-1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(2R)-2-hydroxy-2-phenylethyl]-N-methylacetamide (CID 26351202) is 2-[(3S)-1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(2R)-2-hydroxy-2-phenylethyl]-N-methylacetamide.
What is the SMILES notation for 2-[(3S)-1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(2R)-2-hydroxy-2-phenylethyl]-N-methylacetamide?
The canonical SMILES for 2-[(3S)-1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(2R)-2-hydroxy-2-phenylethyl]-N-methylacetamide is COc1ccc([C@]2(CC(=O)N(C)C[C@H](O)c3ccccc3)CC(=O)N(C3CCCC3)C2=O)cc1.
What is the InChIKey of 2-[(3S)-1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(2R)-2-hydroxy-2-phenylethyl]-N-methylacetamide?
The InChIKey is OFVJMBURDAFPIS-HOFKKMOUSA-N. The full InChI is InChI=1S/C27H32N2O5/c1-28(18-23(30)19-8-4-3-5-9-19)24(31)16-27(20-12-14-22(34-2)15-13-20)17-25(32)29(26(27)33)21-10-6-7-11-21/h3-5,8-9,12-15,21,23,30H,6-7,10-11,16-18H2,1-2H3/t23-,27-/m0/s1.
What are the key properties of 2-[(3S)-1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(2R)-2-hydroxy-2-phenylethyl]-N-methylacetamide?
2-[(3S)-1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(2R)-2-hydroxy-2-phenylethyl]-N-methylacetamide has a molecular weight of 464.56 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(2R)-2-hydroxy-2-phenylethyl]-N-methylacetamide is sourced from PubChem (CID 26351202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).