2-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)chromene-3-carboxamide

C22H22N2O3 — CID 24624978

IUPAC2-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)chromene-3-carboxamide
SMILESO=C(NCC(c1ccccc1)N1CCCC1)c1cc2ccccc2oc1=O
InChIInChI=1S/C22H22N2O3/c25-21(18-14-17-10-4-5-11-20(17)27-22(18)26)23-15-19(24-12-6-7-13-24)16-8-2-1-3-9-16/h1-5,8-11,14,19H,6-7,12-13,15H2,(H,23,25)
InChIKeyZFUSBTQJNFSTBY-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.36
Rot. Bonds5

About 2-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)chromene-3-carboxamide

2-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)chromene-3-carboxamide (PubChem CID 24624978) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)chromene-3-carboxamide
PubChem CID24624978
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name2-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)chromene-3-carboxamide
SMILESO=C(NCC(c1ccccc1)N1CCCC1)c1cc2ccccc2oc1=O
InChIInChI=1S/C22H22N2O3/c25-21(18-14-17-10-4-5-11-20(17)27-22(18)26)23-15-19(24-12-6-7-13-24)16-8-2-1-3-9-16/h1-5,8-11,14,19H,6-7,12-13,15H2,(H,23,25)
InChIKeyZFUSBTQJNFSTBY-UHFFFAOYSA-N
XLogP3.36
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)chromene-3-carboxamide 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

N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-2-oxochromene-3-carboxamide
CID 20962582
N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-oxochromene-3-carboxamide
CID 40849817
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-oxochromene-3-carboxamide
CID 42910719
N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-oxochromene-3-carboxamide
CID 26835109
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-2-oxochromene-3-carboxamide
CID 51628649
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-oxochromene-3-carboxamide
CID 111112743
2,6-difluoro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 51931088
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide
CID 2571311
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-oxochromene-3-carboxamide
CID 37184709
5-chloro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]furan-2-carboxamide
CID 30334540
2-chloro-4-fluoro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 26007854
2-oxochromene-3-carboxylic acid
CID 161011590

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)chromene-3-carboxamide?
The IUPAC name of 2-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)chromene-3-carboxamide (CID 24624978) is 2-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)chromene-3-carboxamide is O=C(NCC(c1ccccc1)N1CCCC1)c1cc2ccccc2oc1=O.
What is the InChIKey of 2-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)chromene-3-carboxamide?
The InChIKey is ZFUSBTQJNFSTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c25-21(18-14-17-10-4-5-11-20(17)27-22(18)26)23-15-19(24-12-6-7-13-24)16-8-2-1-3-9-16/h1-5,8-11,14,19H,6-7,12-13,15H2,(H,23,25).
What are the key properties of 2-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)chromene-3-carboxamide?
2-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)chromene-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)chromene-3-carboxamide is sourced from PubChem (CID 24624978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).