N-(2-hydroxypropyl)-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide

C15H20N2O3 — CID 110902995

IUPACN-(2-hydroxypropyl)-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CCC(C(=O)NCC(C)O)C2=O)cc1
InChIInChI=1S/C15H20N2O3/c1-10-3-5-12(6-4-10)17-8-7-13(15(17)20)14(19)16-9-11(2)18/h3-6,11,13,18H,7-9H2,1-2H3,(H,16,19)
InChIKeyNLNXNYYKSODFOA-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.84
Rot. Bonds4

About N-(2-hydroxypropyl)-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide

N-(2-hydroxypropyl)-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 110902995) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
PubChem CID110902995
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-(2-hydroxypropyl)-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CCC(C(=O)NCC(C)O)C2=O)cc1
InChIInChI=1S/C15H20N2O3/c1-10-3-5-12(6-4-10)17-8-7-13(15(17)20)14(19)16-9-11(2)18/h3-6,11,13,18H,7-9H2,1-2H3,(H,16,19)
InChIKeyNLNXNYYKSODFOA-UHFFFAOYSA-N
XLogP0.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromophenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide
CID 42853703
N-(2-methylpropyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 42853497
1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 50797712
(3R)-1-(4-fluorophenyl)-N-[2-(4-methylphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 95056114
(2R)-3-[[(3S)-1-(3,4-dimethylphenyl)-2-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid
CID 124690681
2-methyl-2-[[1-(4-methylphenyl)-2-oxopyrrolidine-3-carbonyl]amino]butanoic acid
CID 166214093
1-(4-methylphenyl)-2-oxo-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 60566003
N-(2-methylpropyl)-1-naphthalen-2-yl-2-oxopyrrolidine-3-carboxamide
CID 46048952
(3R)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 124866664
1-(4-fluorophenyl)-N-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 42853639
(3S)-1-(2-methylphenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide
CID 93331482
2-methoxy-5-[[[(3S)-1-(4-methylphenyl)-2-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 125153572

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-hydroxypropyl)-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide (CID 110902995) is N-(2-hydroxypropyl)-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxypropyl)-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-hydroxypropyl)-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide is Cc1ccc(N2CCC(C(=O)NCC(C)O)C2=O)cc1.
What is the InChIKey of N-(2-hydroxypropyl)-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is NLNXNYYKSODFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-3-5-12(6-4-10)17-8-7-13(15(17)20)14(19)16-9-11(2)18/h3-6,11,13,18H,7-9H2,1-2H3,(H,16,19).
What are the key properties of N-(2-hydroxypropyl)-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide?
N-(2-hydroxypropyl)-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 110902995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).