5-oxo-1-(1-phenylethyl)-N-propan-2-ylpyrrolidine-3-carboxamide

C16H22N2O2 — CID 5057199

IUPAC5-oxo-1-(1-phenylethyl)-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)NC(=O)C1CC(=O)N(C(C)c2ccccc2)C1
InChIInChI=1S/C16H22N2O2/c1-11(2)17-16(20)14-9-15(19)18(10-14)12(3)13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3,(H,17,20)
InChIKeyNJMHKSPFFUOTBI-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.12
Rot. Bonds4

About 5-oxo-1-(1-phenylethyl)-N-propan-2-ylpyrrolidine-3-carboxamide

5-oxo-1-(1-phenylethyl)-N-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 5057199) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 5-oxo-1-(1-phenylethyl)-N-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-(1-phenylethyl)-N-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID5057199
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name5-oxo-1-(1-phenylethyl)-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)NC(=O)C1CC(=O)N(C(C)c2ccccc2)C1
InChIInChI=1S/C16H22N2O2/c1-11(2)17-16(20)14-9-15(19)18(10-14)12(3)13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3,(H,17,20)
InChIKeyNJMHKSPFFUOTBI-UHFFFAOYSA-N
XLogP2.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 20054967
Nebracetam
CID 65926
Myramistin
CID 72949
N-benzyl-5-oxopyrrolidine-2-carboxamide
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Smac peptido-mimetic 6h
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Smac peptido-mimetic 1
CID 11200722
(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(diphenylmethyl)pyrrolidine-2-carboxamide
CID 11317764
(2S)-1-[(2S)-2-[(2S)-2-aminobutanamido]-3-methylbutanoyl]-N-(diphenylmethyl)pyrrolidine-2-carboxamide
CID 11351754
3-[2-(2-cyano-(S)-pyrrolidin-1-yl)-2-oxoethylamino]-N-(1-phenylpropyl)propionamide
CID 11580945
N-Benzyl-3-[2-(2-cyano-(S)-pyrrolidin-1-yl)-2-oxoethylamino]-propionamide
CID 11645337
3-[2-(2-cyano-(S)-pyrrolidin-1-yl)-2-oxoethylamino]-N-(1-methyl-1-phenylethyl)propionamide
CID 11702902
(R)-N-Benzyl-2-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 155213164

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(1-phenylethyl)-N-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-(1-phenylethyl)-N-propan-2-ylpyrrolidine-3-carboxamide (CID 5057199) is 5-oxo-1-(1-phenylethyl)-N-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-(1-phenylethyl)-N-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-(1-phenylethyl)-N-propan-2-ylpyrrolidine-3-carboxamide is CC(C)NC(=O)C1CC(=O)N(C(C)c2ccccc2)C1.
What is the InChIKey of 5-oxo-1-(1-phenylethyl)-N-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is NJMHKSPFFUOTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11(2)17-16(20)14-9-15(19)18(10-14)12(3)13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3,(H,17,20).
What are the key properties of 5-oxo-1-(1-phenylethyl)-N-propan-2-ylpyrrolidine-3-carboxamide?
5-oxo-1-(1-phenylethyl)-N-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(1-phenylethyl)-N-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 5057199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).