N-methyl-2-[(3S)-1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-[(3S)-oxolan-3-yl]acetamide

C24H26N2O4 — CID 42436101

IUPACN-methyl-2-[(3S)-1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-[(3S)-oxolan-3-yl]acetamide
SMILESCN1C(=O)C[C@@](CC(=O)N(C)[C@H]2CCOC2)(c2ccc(-c3ccccc3)cc2)C1=O
InChIInChI=1S/C24H26N2O4/c1-25(20-12-13-30-16-20)21(27)14-24(15-22(28)26(2)23(24)29)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,20H,12-16H2,1-2H3/t20-,24-/m0/s1
InChIKeyPBDJAXKGTOQPCA-RDPSFJRHSA-N
MW406.48 g/mol
LogP2.62
Rot. Bonds5

About N-methyl-2-[(3S)-1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-[(3S)-oxolan-3-yl]acetamide

N-methyl-2-[(3S)-1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-[(3S)-oxolan-3-yl]acetamide (PubChem CID 42436101) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is N-methyl-2-[(3S)-1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-[(3S)-oxolan-3-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(3S)-1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-[(3S)-oxolan-3-yl]acetamide
PubChem CID42436101
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC NameN-methyl-2-[(3S)-1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-[(3S)-oxolan-3-yl]acetamide
SMILESCN1C(=O)C[C@@](CC(=O)N(C)[C@H]2CCOC2)(c2ccc(-c3ccccc3)cc2)C1=O
InChIInChI=1S/C24H26N2O4/c1-25(20-12-13-30-16-20)21(27)14-24(15-22(28)26(2)23(24)29)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,20H,12-16H2,1-2H3/t20-,24-/m0/s1
InChIKeyPBDJAXKGTOQPCA-RDPSFJRHSA-N
XLogP2.62
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(3S)-1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-[(3S)-oxolan-3-yl]acetamide?
The IUPAC name of N-methyl-2-[(3S)-1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-[(3S)-oxolan-3-yl]acetamide (CID 42436101) is N-methyl-2-[(3S)-1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-[(3S)-oxolan-3-yl]acetamide.
What is the SMILES notation for N-methyl-2-[(3S)-1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-[(3S)-oxolan-3-yl]acetamide?
The canonical SMILES for N-methyl-2-[(3S)-1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-[(3S)-oxolan-3-yl]acetamide is CN1C(=O)C[C@@](CC(=O)N(C)[C@H]2CCOC2)(c2ccc(-c3ccccc3)cc2)C1=O.
What is the InChIKey of N-methyl-2-[(3S)-1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-[(3S)-oxolan-3-yl]acetamide?
The InChIKey is PBDJAXKGTOQPCA-RDPSFJRHSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-25(20-12-13-30-16-20)21(27)14-24(15-22(28)26(2)23(24)29)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,20H,12-16H2,1-2H3/t20-,24-/m0/s1.
What are the key properties of N-methyl-2-[(3S)-1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-[(3S)-oxolan-3-yl]acetamide?
N-methyl-2-[(3S)-1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-[(3S)-oxolan-3-yl]acetamide has a molecular weight of 406.48 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(3S)-1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-[(3S)-oxolan-3-yl]acetamide is sourced from PubChem (CID 42436101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).