2-cyano-N-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]benzamide

C15H17N3O3 — CID 91761715

IUPAC2-cyano-N-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]benzamide
SMILESCOCCN1CC(NC(=O)c2ccccc2C#N)CC1=O
InChIInChI=1S/C15H17N3O3/c1-21-7-6-18-10-12(8-14(18)19)17-15(20)13-5-3-2-4-11(13)9-16/h2-5,12H,6-8,10H2,1H3,(H,17,20)
InChIKeyKQFIJUCJXDWAFO-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.54
Rot. Bonds5

About 2-cyano-N-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]benzamide

2-cyano-N-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]benzamide (PubChem CID 91761715) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-cyano-N-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name2-cyano-N-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]benzamide
PubChem CID91761715
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-cyano-N-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]benzamide
SMILESCOCCN1CC(NC(=O)c2ccccc2C#N)CC1=O
InChIInChI=1S/C15H17N3O3/c1-21-7-6-18-10-12(8-14(18)19)17-15(20)13-5-3-2-4-11(13)9-16/h2-5,12H,6-8,10H2,1H3,(H,17,20)
InChIKeyKQFIJUCJXDWAFO-UHFFFAOYSA-N
XLogP0.54
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyano-N-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]benzonitrile
CID 91768193
N-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 91775311
2-(2-methoxyethylamino)-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]acetamide
CID 119803366
3-methoxy-N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]propanamide
CID 25395480
5-amino-2-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]benzamide;hydrochloride
CID 120636021
2-methoxy-N-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 26333975
2-(2-methoxyethoxy)-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 95290165
N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-hydroxybenzamide
CID 95720923
N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-3-cyanobenzamide
CID 95334504
N-[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-7-methyl-4-oxochromene-2-carboxamide
CID 124852371
2-(dimethylamino)-N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]benzamide
CID 26392506
(3R)-1-(2-methoxyethyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 94045996

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]benzamide?
The IUPAC name of 2-cyano-N-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]benzamide (CID 91761715) is 2-cyano-N-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]benzamide.
What is the SMILES notation for 2-cyano-N-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]benzamide?
The canonical SMILES for 2-cyano-N-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]benzamide is COCCN1CC(NC(=O)c2ccccc2C#N)CC1=O.
What is the InChIKey of 2-cyano-N-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]benzamide?
The InChIKey is KQFIJUCJXDWAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-21-7-6-18-10-12(8-14(18)19)17-15(20)13-5-3-2-4-11(13)9-16/h2-5,12H,6-8,10H2,1H3,(H,17,20).
What are the key properties of 2-cyano-N-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]benzamide?
2-cyano-N-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]benzamide has a molecular weight of 287.32 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]benzamide is sourced from PubChem (CID 91761715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).