5-oxo-N-(1-phenylpropan-2-yl)pyrrolidine-2-carboxamide

C14H18N2O2 — CID 3051644

IUPAC5-oxo-N-(1-phenylpropan-2-yl)pyrrolidine-2-carboxamide
SMILESCC(Cc1ccccc1)NC(=O)C1CCC(=O)N1
InChIInChI=1S/C14H18N2O2/c1-10(9-11-5-3-2-4-6-11)15-14(18)12-7-8-13(17)16-12/h2-6,10,12H,7-9H2,1H3,(H,15,18)(H,16,17)
InChIKeyMDBCANRHEWWVAL-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.01
Rot. Bonds4

About 5-oxo-N-(1-phenylpropan-2-yl)pyrrolidine-2-carboxamide

5-oxo-N-(1-phenylpropan-2-yl)pyrrolidine-2-carboxamide (PubChem CID 3051644) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-oxo-N-(1-phenylpropan-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(1-phenylpropan-2-yl)pyrrolidine-2-carboxamide
PubChem CID3051644
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name5-oxo-N-(1-phenylpropan-2-yl)pyrrolidine-2-carboxamide
SMILESCC(Cc1ccccc1)NC(=O)C1CCC(=O)N1
InChIInChI=1S/C14H18N2O2/c1-10(9-11-5-3-2-4-6-11)15-14(18)12-7-8-13(17)16-12/h2-6,10,12H,7-9H2,1H3,(H,15,18)(H,16,17)
InChIKeyMDBCANRHEWWVAL-UHFFFAOYSA-N
XLogP1.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(2R)-1-aminopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 104872886
(2S)-N-[(1R)-2-(4-fluorophenyl)-1-phenylethyl]-5-oxopyrrolidine-2-carboxamide
CID 95234220
N-[(2S)-1-aminopropan-2-yl]-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 130609699
(2R)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 95300663
(2S)-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 11105798
3-[(5-oxopyrrolidine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 24690464
5-oxo-N-[1-oxo-3-phenyl-1-(pyrrolidine-2-carbonylamino)propan-2-yl]pyrrolidine-2-carboxamide
CID 69292399
(2S)-N-[(2S)-1-(4-bromo-2-fluorophenyl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 97211900
N-[(2S)-1-phenylpropan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide
CID 59422599
(2R)-2-[(5-oxopyrrolidine-2-carbonyl)amino]-2-phenylacetic acid
CID 61145312
(2R)-5-oxo-N-pent-4-yn-2-ylpyrrolidine-2-carboxamide
CID 103709621
(3S)-2-oxo-N-[(2R)-1-phenylpropan-2-yl]piperidine-3-carboxamide
CID 806483

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(1-phenylpropan-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 5-oxo-N-(1-phenylpropan-2-yl)pyrrolidine-2-carboxamide (CID 3051644) is 5-oxo-N-(1-phenylpropan-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 5-oxo-N-(1-phenylpropan-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 5-oxo-N-(1-phenylpropan-2-yl)pyrrolidine-2-carboxamide is CC(Cc1ccccc1)NC(=O)C1CCC(=O)N1.
What is the InChIKey of 5-oxo-N-(1-phenylpropan-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is MDBCANRHEWWVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10(9-11-5-3-2-4-6-11)15-14(18)12-7-8-13(17)16-12/h2-6,10,12H,7-9H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 5-oxo-N-(1-phenylpropan-2-yl)pyrrolidine-2-carboxamide?
5-oxo-N-(1-phenylpropan-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(1-phenylpropan-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 3051644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).