2-[(3S)-1-(3-methoxypropyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]-N-[[(2S)-spiro[2.5]octan-2-yl]methyl]acetamide

C25H34N2O4 — CID 125167895

IUPAC2-[(3S)-1-(3-methoxypropyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]-N-[[(2S)-spiro[2.5]octan-2-yl]methyl]acetamide
SMILESCOCCCN1C(=O)C[C@@](CC(=O)NC[C@H]2CC23CCCCC3)(c2ccccc2)C1=O
InChIInChI=1S/C25H34N2O4/c1-31-14-8-13-27-22(29)17-25(23(27)30,19-9-4-2-5-10-19)16-21(28)26-18-20-15-24(20)11-6-3-7-12-24/h2,4-5,9-10,20H,3,6-8,11-18H2,1H3,(H,26,28)/t20-,25+/m1/s1
InChIKeyUKXLLFLYZWUNDA-NLFFAJNJSA-N
MW426.56 g/mol
LogP3.20
Rot. Bonds9

About 2-[(3S)-1-(3-methoxypropyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]-N-[[(2S)-spiro[2.5]octan-2-yl]methyl]acetamide

2-[(3S)-1-(3-methoxypropyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]-N-[[(2S)-spiro[2.5]octan-2-yl]methyl]acetamide (PubChem CID 125167895) has the molecular formula C25H34N2O4 and a molecular weight of 426.56 g/mol. Its IUPAC name is 2-[(3S)-1-(3-methoxypropyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]-N-[[(2S)-spiro[2.5]octan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[(3S)-1-(3-methoxypropyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]-N-[[(2S)-spiro[2.5]octan-2-yl]methyl]acetamide
PubChem CID125167895
Molecular FormulaC25H34N2O4
Molecular Weight426.56 g/mol
Exact Mass426.25
IUPAC Name2-[(3S)-1-(3-methoxypropyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]-N-[[(2S)-spiro[2.5]octan-2-yl]methyl]acetamide
SMILESCOCCCN1C(=O)C[C@@](CC(=O)NC[C@H]2CC23CCCCC3)(c2ccccc2)C1=O
InChIInChI=1S/C25H34N2O4/c1-31-14-8-13-27-22(29)17-25(23(27)30,19-9-4-2-5-10-19)16-21(28)26-18-20-15-24(20)11-6-3-7-12-24/h2,4-5,9-10,20H,3,6-8,11-18H2,1H3,(H,26,28)/t20-,25+/m1/s1
InChIKeyUKXLLFLYZWUNDA-NLFFAJNJSA-N
XLogP3.20
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(3S)-1-(3-methoxypropyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]-N-[[(2S)-spiro[2.5]octan-2-yl]methyl]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-[(3S)-1-(3-methoxypropyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]-N-[[(2S)-spiro[2.5]octan-2-yl]methyl]acetamide?
The IUPAC name of 2-[(3S)-1-(3-methoxypropyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]-N-[[(2S)-spiro[2.5]octan-2-yl]methyl]acetamide (CID 125167895) is 2-[(3S)-1-(3-methoxypropyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]-N-[[(2S)-spiro[2.5]octan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[(3S)-1-(3-methoxypropyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]-N-[[(2S)-spiro[2.5]octan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[(3S)-1-(3-methoxypropyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]-N-[[(2S)-spiro[2.5]octan-2-yl]methyl]acetamide is COCCCN1C(=O)C[C@@](CC(=O)NC[C@H]2CC23CCCCC3)(c2ccccc2)C1=O.
What is the InChIKey of 2-[(3S)-1-(3-methoxypropyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]-N-[[(2S)-spiro[2.5]octan-2-yl]methyl]acetamide?
The InChIKey is UKXLLFLYZWUNDA-NLFFAJNJSA-N. The full InChI is InChI=1S/C25H34N2O4/c1-31-14-8-13-27-22(29)17-25(23(27)30,19-9-4-2-5-10-19)16-21(28)26-18-20-15-24(20)11-6-3-7-12-24/h2,4-5,9-10,20H,3,6-8,11-18H2,1H3,(H,26,28)/t20-,25+/m1/s1.
What are the key properties of 2-[(3S)-1-(3-methoxypropyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]-N-[[(2S)-spiro[2.5]octan-2-yl]methyl]acetamide?
2-[(3S)-1-(3-methoxypropyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]-N-[[(2S)-spiro[2.5]octan-2-yl]methyl]acetamide has a molecular weight of 426.56 g/mol, XLogP of 3.20, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-(3-methoxypropyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]-N-[[(2S)-spiro[2.5]octan-2-yl]methyl]acetamide is sourced from PubChem (CID 125167895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).