2-[(3R)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-methyl-N-(oxan-4-yl)acetamide

C27H30N2O4 — CID 42347665

IUPAC2-[(3R)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-methyl-N-(oxan-4-yl)acetamide
SMILESCN(C(=O)C[C@]1(c2ccc(-c3ccccc3)cc2)CC(=O)N(C2CC2)C1=O)C1CCOCC1
InChIInChI=1S/C27H30N2O4/c1-28(22-13-15-33-16-14-22)24(30)17-27(18-25(31)29(26(27)32)23-11-12-23)21-9-7-20(8-10-21)19-5-3-2-4-6-19/h2-10,22-23H,11-18H2,1H3/t27-/m1/s1
InChIKeyCIJLFJLXUSWECN-HHHXNRCGSA-N
MW446.55 g/mol
LogP3.54
Rot. Bonds6

About 2-[(3R)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-methyl-N-(oxan-4-yl)acetamide

2-[(3R)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-methyl-N-(oxan-4-yl)acetamide (PubChem CID 42347665) has the molecular formula C27H30N2O4 and a molecular weight of 446.55 g/mol. Its IUPAC name is 2-[(3R)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-methyl-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[(3R)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-methyl-N-(oxan-4-yl)acetamide
PubChem CID42347665
Molecular FormulaC27H30N2O4
Molecular Weight446.55 g/mol
Exact Mass446.22
IUPAC Name2-[(3R)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-methyl-N-(oxan-4-yl)acetamide
SMILESCN(C(=O)C[C@]1(c2ccc(-c3ccccc3)cc2)CC(=O)N(C2CC2)C1=O)C1CCOCC1
InChIInChI=1S/C27H30N2O4/c1-28(22-13-15-33-16-14-22)24(30)17-27(18-25(31)29(26(27)32)23-11-12-23)21-9-7-20(8-10-21)19-5-3-2-4-6-19/h2-10,22-23H,11-18H2,1H3/t27-/m1/s1
InChIKeyCIJLFJLXUSWECN-HHHXNRCGSA-N
XLogP3.54
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(3R)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-methyl-N-(oxan-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-methyl-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[(3R)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-methyl-N-(oxan-4-yl)acetamide (CID 42347665) is 2-[(3R)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-methyl-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[(3R)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-methyl-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[(3R)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-methyl-N-(oxan-4-yl)acetamide is CN(C(=O)C[C@]1(c2ccc(-c3ccccc3)cc2)CC(=O)N(C2CC2)C1=O)C1CCOCC1.
What is the InChIKey of 2-[(3R)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-methyl-N-(oxan-4-yl)acetamide?
The InChIKey is CIJLFJLXUSWECN-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H30N2O4/c1-28(22-13-15-33-16-14-22)24(30)17-27(18-25(31)29(26(27)32)23-11-12-23)21-9-7-20(8-10-21)19-5-3-2-4-6-19/h2-10,22-23H,11-18H2,1H3/t27-/m1/s1.
What are the key properties of 2-[(3R)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-methyl-N-(oxan-4-yl)acetamide?
2-[(3R)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-methyl-N-(oxan-4-yl)acetamide has a molecular weight of 446.55 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-methyl-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 42347665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).