2-[(3R)-1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(oxan-4-yl)acetamide

C24H32N2O5 — CID 25306354

IUPAC2-[(3R)-1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(oxan-4-yl)acetamide
SMILESCOc1ccc([C@@]2(CC(=O)N(C)C3CCOCC3)CC(=O)N(C3CCCC3)C2=O)cc1
InChIInChI=1S/C24H32N2O5/c1-25(18-11-13-31-14-12-18)21(27)15-24(17-7-9-20(30-2)10-8-17)16-22(28)26(23(24)29)19-5-3-4-6-19/h7-10,18-19H,3-6,11-16H2,1-2H3/t24-/m1/s1
InChIKeyPVCUUEZCEXVVPK-XMMPIXPASA-N
MW428.53 g/mol
LogP2.66
Rot. Bonds6

About 2-[(3R)-1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(oxan-4-yl)acetamide

2-[(3R)-1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(oxan-4-yl)acetamide (PubChem CID 25306354) has the molecular formula C24H32N2O5 and a molecular weight of 428.53 g/mol. Its IUPAC name is 2-[(3R)-1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[(3R)-1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(oxan-4-yl)acetamide
PubChem CID25306354
Molecular FormulaC24H32N2O5
Molecular Weight428.53 g/mol
Exact Mass428.23
IUPAC Name2-[(3R)-1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(oxan-4-yl)acetamide
SMILESCOc1ccc([C@@]2(CC(=O)N(C)C3CCOCC3)CC(=O)N(C3CCCC3)C2=O)cc1
InChIInChI=1S/C24H32N2O5/c1-25(18-11-13-31-14-12-18)21(27)15-24(17-7-9-20(30-2)10-8-17)16-22(28)26(23(24)29)19-5-3-4-6-19/h7-10,18-19H,3-6,11-16H2,1-2H3/t24-/m1/s1
InChIKeyPVCUUEZCEXVVPK-XMMPIXPASA-N
XLogP2.66
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 52.66
H-Bond Donors ≤ 50
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-[(3R)-1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[(3R)-1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(oxan-4-yl)acetamide (CID 25306354) is 2-[(3R)-1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[(3R)-1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[(3R)-1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(oxan-4-yl)acetamide is COc1ccc([C@@]2(CC(=O)N(C)C3CCOCC3)CC(=O)N(C3CCCC3)C2=O)cc1.
What is the InChIKey of 2-[(3R)-1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(oxan-4-yl)acetamide?
The InChIKey is PVCUUEZCEXVVPK-XMMPIXPASA-N. The full InChI is InChI=1S/C24H32N2O5/c1-25(18-11-13-31-14-12-18)21(27)15-24(17-7-9-20(30-2)10-8-17)16-22(28)26(23(24)29)19-5-3-4-6-19/h7-10,18-19H,3-6,11-16H2,1-2H3/t24-/m1/s1.
What are the key properties of 2-[(3R)-1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(oxan-4-yl)acetamide?
2-[(3R)-1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(oxan-4-yl)acetamide has a molecular weight of 428.53 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 25306354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).