5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-2-carboxamide

C14H18N2O2 — CID 42909016

IUPAC5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-2-carboxamide
SMILESCC(C)c1ccccc1NC(=O)C1CCC(=O)N1
InChIInChI=1S/C14H18N2O2/c1-9(2)10-5-3-4-6-11(10)16-14(18)12-7-8-13(17)15-12/h3-6,9,12H,7-8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyMWSQDYGFKHWVBM-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.03
Rot. Bonds3

About 5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-2-carboxamide

5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-2-carboxamide (PubChem CID 42909016) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-2-carboxamide
PubChem CID42909016
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-2-carboxamide
SMILESCC(C)c1ccccc1NC(=O)C1CCC(=O)N1
InChIInChI=1S/C14H18N2O2/c1-9(2)10-5-3-4-6-11(10)16-14(18)12-7-8-13(17)15-12/h3-6,9,12H,7-8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyMWSQDYGFKHWVBM-UHFFFAOYSA-N
XLogP2.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-oxo-N-(2-propan-2-ylphenyl)-1,3-oxazolidine-4-carboxamide
CID 110649863
N-(2-propan-2-ylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24690302
2-[2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid
CID 113265030
N-[2-(aminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 64882512
(2R)-N-[2-(4-methylanilino)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 166390943
2-oxo-N-(2-propan-2-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 110702917
4-[(2-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63788003
(2R)-N-[2-(4-ethoxyphenoxy)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 39971968
4-N-propan-2-yl-1-N-(2-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109144556
2-hydroxy-3-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]benzoic acid
CID 114039518
(2R)-N-[2-methyl-4-[(1R)-1-phenylethoxy]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 95348679
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 71943341

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-2-carboxamide (CID 42909016) is 5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-2-carboxamide is CC(C)c1ccccc1NC(=O)C1CCC(=O)N1.
What is the InChIKey of 5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is MWSQDYGFKHWVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9(2)10-5-3-4-6-11(10)16-14(18)12-7-8-13(17)15-12/h3-6,9,12H,7-8H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-2-carboxamide?
5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 42909016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).