2-[(3S)-2,5-dioxo-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]-N-ethyl-N-(2-hydroxyethyl)acetamide

C23H27N3O4 — CID 42168870

IUPAC2-[(3S)-2,5-dioxo-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]-N-ethyl-N-(2-hydroxyethyl)acetamide
SMILESCCN(CCO)C(=O)C[C@@]1(c2ccccc2)CC(=O)N(CCc2ccccn2)C1=O
InChIInChI=1S/C23H27N3O4/c1-2-25(14-15-27)20(28)16-23(18-8-4-3-5-9-18)17-21(29)26(22(23)30)13-11-19-10-6-7-12-24-19/h3-10,12,27H,2,11,13-17H2,1H3/t23-/m0/s1
InChIKeyBKFCZXBCJSMKLC-QHCPKHFHSA-N
MW409.49 g/mol
LogP1.55
Rot. Bonds9

About 2-[(3S)-2,5-dioxo-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]-N-ethyl-N-(2-hydroxyethyl)acetamide

2-[(3S)-2,5-dioxo-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]-N-ethyl-N-(2-hydroxyethyl)acetamide (PubChem CID 42168870) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-[(3S)-2,5-dioxo-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]-N-ethyl-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-[(3S)-2,5-dioxo-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]-N-ethyl-N-(2-hydroxyethyl)acetamide
PubChem CID42168870
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name2-[(3S)-2,5-dioxo-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]-N-ethyl-N-(2-hydroxyethyl)acetamide
SMILESCCN(CCO)C(=O)C[C@@]1(c2ccccc2)CC(=O)N(CCc2ccccn2)C1=O
InChIInChI=1S/C23H27N3O4/c1-2-25(14-15-27)20(28)16-23(18-8-4-3-5-9-18)17-21(29)26(22(23)30)13-11-19-10-6-7-12-24-19/h3-10,12,27H,2,11,13-17H2,1H3/t23-/m0/s1
InChIKeyBKFCZXBCJSMKLC-QHCPKHFHSA-N
XLogP1.55
TPSA90.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(3R)-2,5-dioxo-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]acetic acid
CID 125170964
N-(dicyclopropylmethyl)-2-[(3S)-2,5-dioxo-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]-N-methylacetamide
CID 26278956
2-[2,5-dioxo-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]-N-(2-hydroxy-2-phenylethyl)-N-methylacetamide
CID 45196517
(3S)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
CID 42379886
(3R)-3-[2-[(3S)-3,4-dimethylpiperazin-1-yl]-2-oxoethyl]-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
CID 29085729
ethyl 2-[(2S)-1-[2-[(3S)-2,5-dioxo-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]acetyl]piperidin-2-yl]acetate
CID 26359168
(3R)-3-[2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
CID 98585583
3-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-oxoethyl]-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
CID 45219975
3-[2-(2-methyl-4-phenylpiperazin-1-yl)-2-oxoethyl]-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
CID 118754742
(3S)-3-[2-[(2S)-2-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
CID 42429801
2-[(3R)-3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 42167233
2-[3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-2,5-dioxopyrrolidin-3-yl]-N-[2-(diethylamino)ethyl]-N-ethylacetamide
CID 45173788

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-2,5-dioxo-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]-N-ethyl-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-[(3S)-2,5-dioxo-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]-N-ethyl-N-(2-hydroxyethyl)acetamide (CID 42168870) is 2-[(3S)-2,5-dioxo-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]-N-ethyl-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-[(3S)-2,5-dioxo-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]-N-ethyl-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-[(3S)-2,5-dioxo-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]-N-ethyl-N-(2-hydroxyethyl)acetamide is CCN(CCO)C(=O)C[C@@]1(c2ccccc2)CC(=O)N(CCc2ccccn2)C1=O.
What is the InChIKey of 2-[(3S)-2,5-dioxo-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]-N-ethyl-N-(2-hydroxyethyl)acetamide?
The InChIKey is BKFCZXBCJSMKLC-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-2-25(14-15-27)20(28)16-23(18-8-4-3-5-9-18)17-21(29)26(22(23)30)13-11-19-10-6-7-12-24-19/h3-10,12,27H,2,11,13-17H2,1H3/t23-/m0/s1.
What are the key properties of 2-[(3S)-2,5-dioxo-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]-N-ethyl-N-(2-hydroxyethyl)acetamide?
2-[(3S)-2,5-dioxo-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]-N-ethyl-N-(2-hydroxyethyl)acetamide has a molecular weight of 409.49 g/mol, XLogP of 1.55, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-2,5-dioxo-3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]-N-ethyl-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 42168870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).