(2S)-N-hydroxy-3-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]-2-(oxan-4-yl)propanamide

C20H28N2O4 — CID 59093903

IUPAC(2S)-N-hydroxy-3-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]-2-(oxan-4-yl)propanamide
SMILESCc1ccc(C2(C)CCN(C[C@@H](C(=O)NO)C3CCOCC3)C2=O)cc1
InChIInChI=1S/C20H28N2O4/c1-14-3-5-16(6-4-14)20(2)9-10-22(19(20)24)13-17(18(23)21-25)15-7-11-26-12-8-15/h3-6,15,17,25H,7-13H2,1-2H3,(H,21,23)/t17-,20?/m1/s1
InChIKeyGAUYUQBTQPYPBG-DIAVIDTQSA-N
MW360.45 g/mol
LogP2.03
Rot. Bonds5

About (2S)-N-hydroxy-3-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]-2-(oxan-4-yl)propanamide

(2S)-N-hydroxy-3-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]-2-(oxan-4-yl)propanamide (PubChem CID 59093903) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is (2S)-N-hydroxy-3-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]-2-(oxan-4-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-hydroxy-3-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]-2-(oxan-4-yl)propanamide
PubChem CID59093903
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name(2S)-N-hydroxy-3-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]-2-(oxan-4-yl)propanamide
SMILESCc1ccc(C2(C)CCN(C[C@@H](C(=O)NO)C3CCOCC3)C2=O)cc1
InChIInChI=1S/C20H28N2O4/c1-14-3-5-16(6-4-14)20(2)9-10-22(19(20)24)13-17(18(23)21-25)15-7-11-26-12-8-15/h3-6,15,17,25H,7-13H2,1-2H3,(H,21,23)/t17-,20?/m1/s1
InChIKeyGAUYUQBTQPYPBG-DIAVIDTQSA-N
XLogP2.03
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.03
H-Bond Donors ≤ 52
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-1-[[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxamide
CID 21357620
(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]-2-pyrrolidin-3-ylacetamide
CID 21347976
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
N-hydroxy-3-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]azetidine-2-carboxamide
CID 21357669
N-hydroxy-4-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]thiane-3-carboxamide
CID 21357685
N-[1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-yl]oxane-4-carboxamide
CID 92557507
3-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 119517289
(2R)-N-hydroxy-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]propanamide
CID 54441297
(2R)-2-[(3S)-3-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide
CID 10950008

Frequently Asked Questions

What is the IUPAC name of (2S)-N-hydroxy-3-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]-2-(oxan-4-yl)propanamide?
The IUPAC name of (2S)-N-hydroxy-3-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]-2-(oxan-4-yl)propanamide (CID 59093903) is (2S)-N-hydroxy-3-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]-2-(oxan-4-yl)propanamide.
What is the SMILES notation for (2S)-N-hydroxy-3-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]-2-(oxan-4-yl)propanamide?
The canonical SMILES for (2S)-N-hydroxy-3-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]-2-(oxan-4-yl)propanamide is Cc1ccc(C2(C)CCN(C[C@@H](C(=O)NO)C3CCOCC3)C2=O)cc1.
What is the InChIKey of (2S)-N-hydroxy-3-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]-2-(oxan-4-yl)propanamide?
The InChIKey is GAUYUQBTQPYPBG-DIAVIDTQSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-14-3-5-16(6-4-14)20(2)9-10-22(19(20)24)13-17(18(23)21-25)15-7-11-26-12-8-15/h3-6,15,17,25H,7-13H2,1-2H3,(H,21,23)/t17-,20?/m1/s1.
What are the key properties of (2S)-N-hydroxy-3-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]-2-(oxan-4-yl)propanamide?
(2S)-N-hydroxy-3-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]-2-(oxan-4-yl)propanamide has a molecular weight of 360.45 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-hydroxy-3-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]-2-(oxan-4-yl)propanamide is sourced from PubChem (CID 59093903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).