N-hydroxy-3-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]azetidine-2-carboxamide

C16H21N3O3 — CID 21357669

IUPACN-hydroxy-3-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]azetidine-2-carboxamide
SMILESCc1ccc(C2(C)CCN(C3CNC3C(=O)NO)C2=O)cc1
InChIInChI=1S/C16H21N3O3/c1-10-3-5-11(6-4-10)16(2)7-8-19(15(16)21)12-9-17-13(12)14(20)18-22/h3-6,12-13,17,22H,7-9H2,1-2H3,(H,18,20)
InChIKeyDZOKXKPIBJHYCT-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.33
Rot. Bonds3

About N-hydroxy-3-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]azetidine-2-carboxamide

N-hydroxy-3-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]azetidine-2-carboxamide (PubChem CID 21357669) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-hydroxy-3-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]azetidine-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-3-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]azetidine-2-carboxamide
PubChem CID21357669
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-hydroxy-3-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]azetidine-2-carboxamide
SMILESCc1ccc(C2(C)CCN(C3CNC3C(=O)NO)C2=O)cc1
InChIInChI=1S/C16H21N3O3/c1-10-3-5-11(6-4-10)16(2)7-8-19(15(16)21)12-9-17-13(12)14(20)18-22/h3-6,12-13,17,22H,7-9H2,1-2H3,(H,18,20)
InChIKeyDZOKXKPIBJHYCT-UHFFFAOYSA-N
XLogP0.33
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-4-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]thiane-3-carboxamide
CID 21357685
N-hydroxy-2-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]-2-pyrrolidin-3-ylacetamide
CID 21347976
N-hydroxy-1-[[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxamide
CID 21357620
(2S)-N-hydroxy-3-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]-2-(oxan-4-yl)propanamide
CID 59093903
(2R)-3-(2,5-dioxopyrrolidin-1-yl)-N-hydroxy-2-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]propanamide
CID 54553203
N-hydroxy-2-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]-4-methylsulfonylbutanamide
CID 21347985
N-hydroxy-2-[3-methyl-3-(4-methylphenyl)-2-oxoazetidin-1-yl]propanamide
CID 21347974
6-acetamido-N-hydroxy-2-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]hexanamide
CID 21348104
2-[3-[4-[(3,5-dimethylphenyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide
CID 10222382
3-(3-methyl-2-oxo-3-phenylpyrrolidin-1-yl)piperidine-1-carboxylic acid
CID 138621589
(2R)-N-hydroxy-2-[3-methyl-3-(3-methylphenyl)-2-oxopyrrolidin-1-yl]propanamide
CID 54345830
(2R)-N-hydroxy-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]propanamide
CID 54441297

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]azetidine-2-carboxamide?
The IUPAC name of N-hydroxy-3-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]azetidine-2-carboxamide (CID 21357669) is N-hydroxy-3-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]azetidine-2-carboxamide.
What is the SMILES notation for N-hydroxy-3-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]azetidine-2-carboxamide?
The canonical SMILES for N-hydroxy-3-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]azetidine-2-carboxamide is Cc1ccc(C2(C)CCN(C3CNC3C(=O)NO)C2=O)cc1.
What is the InChIKey of N-hydroxy-3-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]azetidine-2-carboxamide?
The InChIKey is DZOKXKPIBJHYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-10-3-5-11(6-4-10)16(2)7-8-19(15(16)21)12-9-17-13(12)14(20)18-22/h3-6,12-13,17,22H,7-9H2,1-2H3,(H,18,20).
What are the key properties of N-hydroxy-3-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]azetidine-2-carboxamide?
N-hydroxy-3-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]azetidine-2-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]azetidine-2-carboxamide is sourced from PubChem (CID 21357669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).