6-acetamido-N-hydroxy-2-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]hexanamide

C20H29N3O4 — CID 21348104

IUPAC6-acetamido-N-hydroxy-2-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]hexanamide
SMILESCC(=O)NCCCCC(C(=O)NO)N1CCC(C)(c2ccc(C)cc2)C1=O
InChIInChI=1S/C20H29N3O4/c1-14-7-9-16(10-8-14)20(3)11-13-23(19(20)26)17(18(25)22-27)6-4-5-12-21-15(2)24/h7-10,17,27H,4-6,11-13H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyOLNUCYGOOXNXCL-UHFFFAOYSA-N
MW375.47 g/mol
LogP1.67
Rot. Bonds8

About 6-acetamido-N-hydroxy-2-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]hexanamide

6-acetamido-N-hydroxy-2-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]hexanamide (PubChem CID 21348104) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is 6-acetamido-N-hydroxy-2-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]hexanamide.

Molecular Properties

Compound Name6-acetamido-N-hydroxy-2-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]hexanamide
PubChem CID21348104
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name6-acetamido-N-hydroxy-2-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]hexanamide
SMILESCC(=O)NCCCCC(C(=O)NO)N1CCC(C)(c2ccc(C)cc2)C1=O
InChIInChI=1S/C20H29N3O4/c1-14-7-9-16(10-8-14)20(3)11-13-23(19(20)26)17(18(25)22-27)6-4-5-12-21-15(2)24/h7-10,17,27H,4-6,11-13H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyOLNUCYGOOXNXCL-UHFFFAOYSA-N
XLogP1.67
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-acetamido-N-hydroxy-2-[3-methyl-3-(6-methyl-1H-benzimidazol-2-yl)-2-oxopyrrolidin-1-yl]hexanamide
CID 21348106
N-hydroxy-2-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]-4-methylsulfonylbutanamide
CID 21347985
(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-oxoazetidin-1-yl]propanamide
CID 21347974
[3-[3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-4-(hydroxyamino)-4-oxobutyl]carbamic acid
CID 18789361
N-[3-[3-[4-[(2,6-dichloro-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-4-(hydroxyamino)-4-oxobutyl]carbamate
CID 22456100
N-hydroxy-2-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]-2-pyrrolidin-3-ylacetamide
CID 21347976
2-[3-[4-[(3,5-dimethylphenyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide
CID 10222382
2-[3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide
CID 10225219
tert-butyl-[2-[[3-[3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-4-(hydroxyamino)-4-oxobutyl]amino]-2-oxoethyl]carbamic acid
CID 23001604
6-amino-N-hydroxy-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]hexanamide
CID 21348060
(2S)-N-hydroxy-3-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]-2-(oxan-4-yl)propanamide
CID 59093903

Frequently Asked Questions

What is the IUPAC name of 6-acetamido-N-hydroxy-2-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]hexanamide?
The IUPAC name of 6-acetamido-N-hydroxy-2-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]hexanamide (CID 21348104) is 6-acetamido-N-hydroxy-2-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]hexanamide.
What is the SMILES notation for 6-acetamido-N-hydroxy-2-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]hexanamide?
The canonical SMILES for 6-acetamido-N-hydroxy-2-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]hexanamide is CC(=O)NCCCCC(C(=O)NO)N1CCC(C)(c2ccc(C)cc2)C1=O.
What is the InChIKey of 6-acetamido-N-hydroxy-2-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]hexanamide?
The InChIKey is OLNUCYGOOXNXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-14-7-9-16(10-8-14)20(3)11-13-23(19(20)26)17(18(25)22-27)6-4-5-12-21-15(2)24/h7-10,17,27H,4-6,11-13H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of 6-acetamido-N-hydroxy-2-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]hexanamide?
6-acetamido-N-hydroxy-2-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]hexanamide has a molecular weight of 375.47 g/mol, XLogP of 1.67, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-N-hydroxy-2-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]hexanamide is sourced from PubChem (CID 21348104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).