2-[(3S)-2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide

C25H31N3O5 — CID 125160373

IUPAC2-[(3S)-2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
SMILESCC(C)N(CCO)C(=O)C[C@@]1(c2ccccc2)CC(=O)N(CCCOc2cccnc2)C1=O
InChIInChI=1S/C25H31N3O5/c1-19(2)27(13-14-29)22(30)16-25(20-8-4-3-5-9-20)17-23(31)28(24(25)32)12-7-15-33-21-10-6-11-26-18-21/h3-6,8-11,18-19,29H,7,12-17H2,1-2H3/t25-/m0/s1
InChIKeyGHNUDHDAXUMIFX-VWLOTQADSA-N
MW453.54 g/mol
LogP2.17
Rot. Bonds11

About 2-[(3S)-2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide

2-[(3S)-2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide (PubChem CID 125160373) has the molecular formula C25H31N3O5 and a molecular weight of 453.54 g/mol. Its IUPAC name is 2-[(3S)-2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(3S)-2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
PubChem CID125160373
Molecular FormulaC25H31N3O5
Molecular Weight453.54 g/mol
Exact Mass453.23
IUPAC Name2-[(3S)-2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
SMILESCC(C)N(CCO)C(=O)C[C@@]1(c2ccccc2)CC(=O)N(CCCOc2cccnc2)C1=O
InChIInChI=1S/C25H31N3O5/c1-19(2)27(13-14-29)22(30)16-25(20-8-4-3-5-9-20)17-23(31)28(24(25)32)12-7-15-33-21-10-6-11-26-18-21/h3-6,8-11,18-19,29H,7,12-17H2,1-2H3/t25-/m0/s1
InChIKeyGHNUDHDAXUMIFX-VWLOTQADSA-N
XLogP2.17
TPSA100.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]-N-methyl-N-propan-2-ylacetamide
CID 45187724
2-[(3S)-2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]-N-methyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 26354778
2-[(3R)-2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]-N-methyl-N-[(3S)-oxolan-3-yl]acetamide
CID 42429191
(3S)-3-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethyl]-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidine-2,5-dione
CID 42424315
2-[(3R)-2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]acetamide
CID 42485318
3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidine-2,5-dione
CID 45216583
(3R)-3-[2-[(3S)-3-methoxypiperidin-1-yl]-2-oxoethyl]-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidine-2,5-dione
CID 26355379
(3R)-3-[2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidine-2,5-dione
CID 98582039
1-[2-[2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]acetyl]piperidine-3-carboxamide
CID 45216462
1-[4-[2-hydroxyethyl(methyl)amino]butyl]-3-phenyl-3-prop-2-enylpyrrolidine-2,5-dione
CID 24846237
2-[(3S)-1-(3-methoxypropyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(2R)-2-pyridin-3-yloxypropyl]acetamide
CID 42168387
2-[(3S)-2,5-dioxo-3-phenyl-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-N-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]acetamide
CID 125160229

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide?
The IUPAC name of 2-[(3S)-2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide (CID 125160373) is 2-[(3S)-2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(3S)-2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(3S)-2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide is CC(C)N(CCO)C(=O)C[C@@]1(c2ccccc2)CC(=O)N(CCCOc2cccnc2)C1=O.
What is the InChIKey of 2-[(3S)-2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide?
The InChIKey is GHNUDHDAXUMIFX-VWLOTQADSA-N. The full InChI is InChI=1S/C25H31N3O5/c1-19(2)27(13-14-29)22(30)16-25(20-8-4-3-5-9-20)17-23(31)28(24(25)32)12-7-15-33-21-10-6-11-26-18-21/h3-6,8-11,18-19,29H,7,12-17H2,1-2H3/t25-/m0/s1.
What are the key properties of 2-[(3S)-2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide?
2-[(3S)-2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide has a molecular weight of 453.54 g/mol, XLogP of 2.17, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 125160373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).