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

C20H28N2O3 — CID 21357620

IUPACN-hydroxy-1-[[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxamide
SMILESCc1ccc(C2(C)CCN(CC3(C(=O)NO)CCCCC3)C2=O)cc1
InChIInChI=1S/C20H28N2O3/c1-15-6-8-16(9-7-15)19(2)12-13-22(18(19)24)14-20(17(23)21-25)10-4-3-5-11-20/h6-9,25H,3-5,10-14H2,1-2H3,(H,21,23)
InChIKeyGHGJNYDZGZWXLL-UHFFFAOYSA-N
MW344.45 g/mol
LogP2.94
Rot. Bonds4

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

N-hydroxy-1-[[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxamide (PubChem CID 21357620) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is N-hydroxy-1-[[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-[[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxamide
PubChem CID21357620
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC NameN-hydroxy-1-[[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxamide
SMILESCc1ccc(C2(C)CCN(CC3(C(=O)NO)CCCCC3)C2=O)cc1
InChIInChI=1S/C20H28N2O3/c1-15-6-8-16(9-7-15)19(2)12-13-22(18(19)24)14-20(17(23)21-25)10-4-3-5-11-20/h6-9,25H,3-5,10-14H2,1-2H3,(H,21,23)
InChIKeyGHGJNYDZGZWXLL-UHFFFAOYSA-N
XLogP2.94
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(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-3-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]azetidine-2-carboxamide
CID 21357669
6-acetamido-N-hydroxy-2-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]hexanamide
CID 21348104
N-hydroxy-2-[3-methyl-3-(4-methylphenyl)-2-oxoazetidin-1-yl]propanamide
CID 21347974
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-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-methylphenyl)acetamide
CID 17446177
1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43397053
2-[3-[4-[(3,5-dimethylphenyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide
CID 10222382
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-methylphenyl)acetamide
CID 2701811

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-[[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of N-hydroxy-1-[[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxamide (CID 21357620) is N-hydroxy-1-[[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-hydroxy-1-[[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-hydroxy-1-[[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxamide is Cc1ccc(C2(C)CCN(CC3(C(=O)NO)CCCCC3)C2=O)cc1.
What is the InChIKey of N-hydroxy-1-[[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxamide?
The InChIKey is GHGJNYDZGZWXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-15-6-8-16(9-7-15)19(2)12-13-22(18(19)24)14-20(17(23)21-25)10-4-3-5-11-20/h6-9,25H,3-5,10-14H2,1-2H3,(H,21,23).
What are the key properties of N-hydroxy-1-[[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxamide?
N-hydroxy-1-[[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxamide has a molecular weight of 344.45 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-[[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 21357620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).