3-hydroxy-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-phenylbutanamide

C15H20N2O3 — CID 110025482

IUPAC3-hydroxy-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-phenylbutanamide
SMILESCN1CCC(NC(=O)CC(C)(O)c2ccccc2)C1=O
InChIInChI=1S/C15H20N2O3/c1-15(20,11-6-4-3-5-7-11)10-13(18)16-12-8-9-17(2)14(12)19/h3-7,12,20H,8-10H2,1-2H3,(H,16,18)
InChIKeyZOZPRNQUTBBKER-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.63
Rot. Bonds4

About 3-hydroxy-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-phenylbutanamide

3-hydroxy-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-phenylbutanamide (PubChem CID 110025482) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-hydroxy-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-phenylbutanamide.

Molecular Properties

Compound Name3-hydroxy-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-phenylbutanamide
PubChem CID110025482
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-hydroxy-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-phenylbutanamide
SMILESCN1CCC(NC(=O)CC(C)(O)c2ccccc2)C1=O
InChIInChI=1S/C15H20N2O3/c1-15(20,11-6-4-3-5-7-11)10-13(18)16-12-8-9-17(2)14(12)19/h3-7,12,20H,8-10H2,1-2H3,(H,16,18)
InChIKeyZOZPRNQUTBBKER-UHFFFAOYSA-N
XLogP0.63
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 ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-2-phenylmethoxyacetamide
CID 124607045
3-hydroxy-3-phenyl-N-(1-phenylpiperidin-4-yl)butanamide
CID 86785833
2-hydroxy-2-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)propanamide
CID 106509766
N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]acetamide
CID 95932398
3-amino-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-sulfanylidenepropanamide
CID 106256271
N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-4-phenylmethoxybutanamide
CID 95981025
(3S)-4,4,4-trifluoro-3-hydroxy-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-phenylbutanamide
CID 97260330
(3R)-4,4,4-trifluoro-3-hydroxy-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]-3-phenylbutanamide
CID 97260329
3-hydroxy-3-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]butanoic acid
CID 106257873
3-hydroxy-3-phenyl-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)butanamide
CID 110025166
5-hydroxy-N-(1-methyl-2-oxopyrrolidin-3-yl)pentanamide
CID 106259293
1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]urea
CID 97231599

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-phenylbutanamide?
The IUPAC name of 3-hydroxy-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-phenylbutanamide (CID 110025482) is 3-hydroxy-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-phenylbutanamide.
What is the SMILES notation for 3-hydroxy-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-phenylbutanamide?
The canonical SMILES for 3-hydroxy-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-phenylbutanamide is CN1CCC(NC(=O)CC(C)(O)c2ccccc2)C1=O.
What is the InChIKey of 3-hydroxy-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-phenylbutanamide?
The InChIKey is ZOZPRNQUTBBKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-15(20,11-6-4-3-5-7-11)10-13(18)16-12-8-9-17(2)14(12)19/h3-7,12,20H,8-10H2,1-2H3,(H,16,18).
What are the key properties of 3-hydroxy-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-phenylbutanamide?
3-hydroxy-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-phenylbutanamide has a molecular weight of 276.34 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-phenylbutanamide is sourced from PubChem (CID 110025482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).