N-(1-hydroxy-2-phenylpropan-2-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide

C15H20N2O3 — CID 105058823

IUPACN-(1-hydroxy-2-phenylpropan-2-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)NC(C)(CO)c2ccccc2)CC1=O
InChIInChI=1S/C15H20N2O3/c1-15(10-18,12-6-4-3-5-7-12)16-14(20)11-8-13(19)17(2)9-11/h3-7,11,18H,8-10H2,1-2H3,(H,16,20)
InChIKeyZYFKJBZVFPAXTH-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.49
Rot. Bonds4

About N-(1-hydroxy-2-phenylpropan-2-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide

N-(1-hydroxy-2-phenylpropan-2-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 105058823) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(1-hydroxy-2-phenylpropan-2-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-phenylpropan-2-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID105058823
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-(1-hydroxy-2-phenylpropan-2-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)NC(C)(CO)c2ccccc2)CC1=O
InChIInChI=1S/C15H20N2O3/c1-15(10-18,12-6-4-3-5-7-12)16-14(20)11-8-13(19)17(2)9-11/h3-7,11,18H,8-10H2,1-2H3,(H,16,20)
InChIKeyZYFKJBZVFPAXTH-UHFFFAOYSA-N
XLogP0.49
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 ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-2-phenylpropan-2-yl)-5-methyloxolane-3-carboxamide
CID 105058923
2-ethyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
CID 79807238
2-(4-chlorophenyl)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
CID 120977684
(3S)-5-oxo-N-(2-phenylpropan-2-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 95130133
(1-hydroxy-2-phenylpropan-2-yl)urea
CID 105059189
N-[1-(hydroxymethyl)cyclopropyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 115877696
N-(1-hydroxy-2-phenylpropan-2-yl)propanamide
CID 105058812
(2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
CID 61132109
N-(1-bromo-2-phenylpropan-2-yl)cycloheptanecarboxamide
CID 105060197
N-(2-methylbutan-2-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 53497922
3-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
CID 43354792
(3S)-N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 97315046

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-phenylpropan-2-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(1-hydroxy-2-phenylpropan-2-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 105058823) is N-(1-hydroxy-2-phenylpropan-2-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-phenylpropan-2-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-phenylpropan-2-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide is CN1CC(C(=O)NC(C)(CO)c2ccccc2)CC1=O.
What is the InChIKey of N-(1-hydroxy-2-phenylpropan-2-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZYFKJBZVFPAXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-15(10-18,12-6-4-3-5-7-12)16-14(20)11-8-13(19)17(2)9-11/h3-7,11,18H,8-10H2,1-2H3,(H,16,20).
What are the key properties of N-(1-hydroxy-2-phenylpropan-2-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
N-(1-hydroxy-2-phenylpropan-2-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-phenylpropan-2-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 105058823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).