1-(2,2-dimethylpropanoyl)-3-hydroxy-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one

C22H25NO3 — CID 77393256

IUPAC1-(2,2-dimethylpropanoyl)-3-hydroxy-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one
SMILESCC(C)(C)C(=O)N1C(=O)C(O)CC1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H25NO3/c1-22(2,3)21(26)23-18(14-19(24)20(23)25)13-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12,18-19,24H,13-14H2,1-3H3
InChIKeyREWATPLBUYHLSU-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.43
Rot. Bonds3

About 1-(2,2-dimethylpropanoyl)-3-hydroxy-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one

1-(2,2-dimethylpropanoyl)-3-hydroxy-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one (PubChem CID 77393256) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-3-hydroxy-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-3-hydroxy-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one
PubChem CID77393256
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name1-(2,2-dimethylpropanoyl)-3-hydroxy-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one
SMILESCC(C)(C)C(=O)N1C(=O)C(O)CC1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H25NO3/c1-22(2,3)21(26)23-18(14-19(24)20(23)25)13-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12,18-19,24H,13-14H2,1-3H3
InChIKeyREWATPLBUYHLSU-UHFFFAOYSA-N
XLogP3.43
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[4-(3-chlorophenyl)phenyl]methyl]-1-(2,2-dimethylpropanoyl)-3-hydroxypyrrolidin-2-one
CID 123710234
prop-1-en-2-yl (5R)-3-hydroxy-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate
CID 67987687
(2R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoic acid;(5S)-1-(2,2-dimethylpropanoyl)-3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one;methane
CID 158311901
tert-butyl (5S)-3-(2,2-dimethylpropanoyl)-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate
CID 53312072
1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 70974571
(5R)-3,3-dimethyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one;(5R)-1-(2,2-dimethylpropanoyl)-3,3-dimethyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one
CID 161226579
trimethyl-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]methyl]azanium iodide
CID 87521326
(5S)-1-acetyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one
CID 59318478
tert-butyl 2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate;ethane
CID 145264211
tert-butyl (3S,5R)-5-benzyl-3-methyl-2-oxopyrrolidine-1-carboxylate
CID 71573510
(3R,5R)-1-(2,2-dimethylpropanoyl)-5-[[4-(2-fluoro-5-methylphenyl)phenyl]methyl]-3-hydroxypyrrolidin-2-one;(5S)-1-(2,2-dimethylpropanoyl)-5-[[4-(2-fluoro-5-methylphenyl)phenyl]methyl]pyrrolidin-2-one;[(2S)-2-[[4-(2-fluoro-5-methylphenyl)phenyl]methyl]-5-oxopyrrolidin-1-yl]-methylborinic acid;(5S)-5-[[4-(2-fluoro-5-methylphenyl)phenyl]methyl]pyrrolidin-2-one
CID 159408856
(3S,5S)-1-(2,2-dimethylpropanoyl)-5-[[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]methyl]-3-methylpyrrolidin-2-one
CID 90145972

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)-3-hydroxy-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-3-hydroxy-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one (CID 77393256) is 1-(2,2-dimethylpropanoyl)-3-hydroxy-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-3-hydroxy-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-3-hydroxy-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one is CC(C)(C)C(=O)N1C(=O)C(O)CC1Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-3-hydroxy-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one?
The InChIKey is REWATPLBUYHLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c1-22(2,3)21(26)23-18(14-19(24)20(23)25)13-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12,18-19,24H,13-14H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpropanoyl)-3-hydroxy-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one?
1-(2,2-dimethylpropanoyl)-3-hydroxy-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one has a molecular weight of 351.45 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)-3-hydroxy-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 77393256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).