1-(4-methylphenyl)-5-oxo-N-(3-phenylprop-2-ynyl)pyrrolidine-3-carboxamide

C21H20N2O2 — CID 51332420

IUPAC1-(4-methylphenyl)-5-oxo-N-(3-phenylprop-2-ynyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NCC#Cc3ccccc3)CC2=O)cc1
InChIInChI=1S/C21H20N2O2/c1-16-9-11-19(12-10-16)23-15-18(14-20(23)24)21(25)22-13-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-12,18H,13-15H2,1H3,(H,22,25)
InChIKeyZKNFOKQNTYSLOX-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.52
Rot. Bonds3

About 1-(4-methylphenyl)-5-oxo-N-(3-phenylprop-2-ynyl)pyrrolidine-3-carboxamide

1-(4-methylphenyl)-5-oxo-N-(3-phenylprop-2-ynyl)pyrrolidine-3-carboxamide (PubChem CID 51332420) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-(4-methylphenyl)-5-oxo-N-(3-phenylprop-2-ynyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-5-oxo-N-(3-phenylprop-2-ynyl)pyrrolidine-3-carboxamide
PubChem CID51332420
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name1-(4-methylphenyl)-5-oxo-N-(3-phenylprop-2-ynyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NCC#Cc3ccccc3)CC2=O)cc1
InChIInChI=1S/C21H20N2O2/c1-16-9-11-19(12-10-16)23-15-18(14-20(23)24)21(25)22-13-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-12,18H,13-15H2,1H3,(H,22,25)
InChIKeyZKNFOKQNTYSLOX-UHFFFAOYSA-N
XLogP2.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-fluorophenyl)prop-2-ynyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 90548213
N-[3-(2-chlorophenyl)prop-2-ynyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 90548751
(3S)-1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9103777
1-(4-fluorophenyl)-5-oxo-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]pyrrolidine-3-carboxamide
CID 90550599
(3S)-N-(2-acetamidoethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30595729
1-(4-methylphenyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 51154055
2-[2-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119242612
1-(4-fluorophenyl)-5-oxo-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]pyrrolidine-3-carboxamide
CID 90551382
N-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 90550131
(3R)-1-(4-methylphenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 2266184
1-(3-bromophenyl)-5-oxo-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]pyrrolidine-3-carboxamide
CID 90550958
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-5-oxo-N-(3-phenylprop-2-ynyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-5-oxo-N-(3-phenylprop-2-ynyl)pyrrolidine-3-carboxamide (CID 51332420) is 1-(4-methylphenyl)-5-oxo-N-(3-phenylprop-2-ynyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-5-oxo-N-(3-phenylprop-2-ynyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-5-oxo-N-(3-phenylprop-2-ynyl)pyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)NCC#Cc3ccccc3)CC2=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)-5-oxo-N-(3-phenylprop-2-ynyl)pyrrolidine-3-carboxamide?
The InChIKey is ZKNFOKQNTYSLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-16-9-11-19(12-10-16)23-15-18(14-20(23)24)21(25)22-13-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-12,18H,13-15H2,1H3,(H,22,25).
What are the key properties of 1-(4-methylphenyl)-5-oxo-N-(3-phenylprop-2-ynyl)pyrrolidine-3-carboxamide?
1-(4-methylphenyl)-5-oxo-N-(3-phenylprop-2-ynyl)pyrrolidine-3-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-5-oxo-N-(3-phenylprop-2-ynyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 51332420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).