6-[7-(2,4-dimethylphenyl)-3-oxo-1H-isoindol-2-yl]-N-hydroxyhexanamide

C22H26N2O3 — CID 150620198

IUPAC6-[7-(2,4-dimethylphenyl)-3-oxo-1H-isoindol-2-yl]-N-hydroxyhexanamide
SMILESCc1ccc(-c2cccc3c2CN(CCCCCC(=O)NO)C3=O)c(C)c1
InChIInChI=1S/C22H26N2O3/c1-15-10-11-17(16(2)13-15)18-7-6-8-19-20(18)14-24(22(19)26)12-5-3-4-9-21(25)23-27/h6-8,10-11,13,27H,3-5,9,12,14H2,1-2H3,(H,23,25)
InChIKeyIVSVGZJQBNZJPW-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.99
Rot. Bonds7

About 6-[7-(2,4-dimethylphenyl)-3-oxo-1H-isoindol-2-yl]-N-hydroxyhexanamide

6-[7-(2,4-dimethylphenyl)-3-oxo-1H-isoindol-2-yl]-N-hydroxyhexanamide (PubChem CID 150620198) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 6-[7-(2,4-dimethylphenyl)-3-oxo-1H-isoindol-2-yl]-N-hydroxyhexanamide.

Molecular Properties

Compound Name6-[7-(2,4-dimethylphenyl)-3-oxo-1H-isoindol-2-yl]-N-hydroxyhexanamide
PubChem CID150620198
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name6-[7-(2,4-dimethylphenyl)-3-oxo-1H-isoindol-2-yl]-N-hydroxyhexanamide
SMILESCc1ccc(-c2cccc3c2CN(CCCCCC(=O)NO)C3=O)c(C)c1
InChIInChI=1S/C22H26N2O3/c1-15-10-11-17(16(2)13-15)18-7-6-8-19-20(18)14-24(22(19)26)12-5-3-4-9-21(25)23-27/h6-8,10-11,13,27H,3-5,9,12,14H2,1-2H3,(H,23,25)
InChIKeyIVSVGZJQBNZJPW-UHFFFAOYSA-N
XLogP3.99
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

7-[5-(2,6-dimethylanilino)-1,3-dioxoisoindol-2-yl]-N-hydroxyheptanamide
CID 53340544
6-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-hydroxyhexanamide
CID 5186
N-(2,5-dimethylphenyl)-6-(1,3-dioxoisoindol-2-yl)hexanamide
CID 3354455
6-[(5Z)-5-ethylidene-4-methyl-1,3-dioxoisoquinolin-2-yl]-N-hydroxyhexanamide
CID 144791056
6-[6-(3,5-dimethylphenyl)-3-oxo-1H-isoindol-2-yl]-N-phenylmethoxyhexanamide
CID 87109609
N-hydroxy-6-(2,2,7-trimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)hexanamide
CID 123844845
6-[1,3-dioxo-6-(propylamino)benzo[de]isoquinolin-2-yl]-N-hydroxyhexanamide
CID 155537473
6-(2,6-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-hydroxyhexanamide
CID 50898508
4-bromo-2-(6-oxo-7-phenylmethoxyheptyl)-3H-isoindol-1-one;(2,4-dimethoxyphenyl)boronic acid;4-(2,4-dimethoxyphenyl)-2-(6-oxo-7-phenylmethoxyheptyl)-3H-isoindol-1-one
CID 159473172
5-(3-oxo-1H-isoindol-2-yl)pentanoic acid
CID 18870951
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2,4-dimethylphenyl)butanamide
CID 30426290
N-(2,6-dimethylphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 30433880

Frequently Asked Questions

What is the IUPAC name of 6-[7-(2,4-dimethylphenyl)-3-oxo-1H-isoindol-2-yl]-N-hydroxyhexanamide?
The IUPAC name of 6-[7-(2,4-dimethylphenyl)-3-oxo-1H-isoindol-2-yl]-N-hydroxyhexanamide (CID 150620198) is 6-[7-(2,4-dimethylphenyl)-3-oxo-1H-isoindol-2-yl]-N-hydroxyhexanamide.
What is the SMILES notation for 6-[7-(2,4-dimethylphenyl)-3-oxo-1H-isoindol-2-yl]-N-hydroxyhexanamide?
The canonical SMILES for 6-[7-(2,4-dimethylphenyl)-3-oxo-1H-isoindol-2-yl]-N-hydroxyhexanamide is Cc1ccc(-c2cccc3c2CN(CCCCCC(=O)NO)C3=O)c(C)c1.
What is the InChIKey of 6-[7-(2,4-dimethylphenyl)-3-oxo-1H-isoindol-2-yl]-N-hydroxyhexanamide?
The InChIKey is IVSVGZJQBNZJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-15-10-11-17(16(2)13-15)18-7-6-8-19-20(18)14-24(22(19)26)12-5-3-4-9-21(25)23-27/h6-8,10-11,13,27H,3-5,9,12,14H2,1-2H3,(H,23,25).
What are the key properties of 6-[7-(2,4-dimethylphenyl)-3-oxo-1H-isoindol-2-yl]-N-hydroxyhexanamide?
6-[7-(2,4-dimethylphenyl)-3-oxo-1H-isoindol-2-yl]-N-hydroxyhexanamide has a molecular weight of 366.46 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-(2,4-dimethylphenyl)-3-oxo-1H-isoindol-2-yl]-N-hydroxyhexanamide is sourced from PubChem (CID 150620198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).