7-[5-(2,6-dimethylanilino)-1,3-dioxoisoindol-2-yl]-N-hydroxyheptanamide

C23H27N3O4 — CID 53340544

IUPAC7-[5-(2,6-dimethylanilino)-1,3-dioxoisoindol-2-yl]-N-hydroxyheptanamide
SMILESCc1cccc(C)c1Nc1ccc2c(c1)C(=O)N(CCCCCCC(=O)NO)C2=O
InChIInChI=1S/C23H27N3O4/c1-15-8-7-9-16(2)21(15)24-17-11-12-18-19(14-17)23(29)26(22(18)28)13-6-4-3-5-10-20(27)25-30/h7-9,11-12,14,24,30H,3-6,10,13H2,1-2H3,(H,25,27)
InChIKeyBMLCYZRQELFHDD-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.10
Rot. Bonds9

About 7-[5-(2,6-dimethylanilino)-1,3-dioxoisoindol-2-yl]-N-hydroxyheptanamide

7-[5-(2,6-dimethylanilino)-1,3-dioxoisoindol-2-yl]-N-hydroxyheptanamide (PubChem CID 53340544) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is 7-[5-(2,6-dimethylanilino)-1,3-dioxoisoindol-2-yl]-N-hydroxyheptanamide.

Molecular Properties

Compound Name7-[5-(2,6-dimethylanilino)-1,3-dioxoisoindol-2-yl]-N-hydroxyheptanamide
PubChem CID53340544
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name7-[5-(2,6-dimethylanilino)-1,3-dioxoisoindol-2-yl]-N-hydroxyheptanamide
SMILESCc1cccc(C)c1Nc1ccc2c(c1)C(=O)N(CCCCCCC(=O)NO)C2=O
InChIInChI=1S/C23H27N3O4/c1-15-8-7-9-16(2)21(15)24-17-11-12-18-19(14-17)23(29)26(22(18)28)13-6-4-3-5-10-20(27)25-30/h7-9,11-12,14,24,30H,3-6,10,13H2,1-2H3,(H,25,27)
InChIKeyBMLCYZRQELFHDD-UHFFFAOYSA-N
XLogP4.10
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2,6-dimethylphenyl)butanamide
CID 30433870
6-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-hydroxyhexanamide
CID 5186
N-(2,6-dimethylphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 30433880
6-[(5Z)-5-ethylidene-4-methyl-1,3-dioxoisoquinolin-2-yl]-N-hydroxyhexanamide
CID 144791056
N-(3,4-dimethylphenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 27167782
N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-6-(1,3-dioxoisoindol-2-yl)hexanamide
CID 108765888
N-(2,5-dimethylphenyl)-6-(1,3-dioxoisoindol-2-yl)hexanamide
CID 3354455
6-[1,3-dioxo-6-(propylamino)benzo[de]isoquinolin-2-yl]-N-hydroxyhexanamide
CID 155537473
N-(2,6-dimethylphenyl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 3744208
N-(3-fluorophenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 29371362
methyl 6-[5-[2-(6-methoxy-6-oxohexyl)-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]hexanoate
CID 101160848
6-[7-(2,4-dimethylphenyl)-3-oxo-1H-isoindol-2-yl]-N-hydroxyhexanamide
CID 150620198

Frequently Asked Questions

What is the IUPAC name of 7-[5-(2,6-dimethylanilino)-1,3-dioxoisoindol-2-yl]-N-hydroxyheptanamide?
The IUPAC name of 7-[5-(2,6-dimethylanilino)-1,3-dioxoisoindol-2-yl]-N-hydroxyheptanamide (CID 53340544) is 7-[5-(2,6-dimethylanilino)-1,3-dioxoisoindol-2-yl]-N-hydroxyheptanamide.
What is the SMILES notation for 7-[5-(2,6-dimethylanilino)-1,3-dioxoisoindol-2-yl]-N-hydroxyheptanamide?
The canonical SMILES for 7-[5-(2,6-dimethylanilino)-1,3-dioxoisoindol-2-yl]-N-hydroxyheptanamide is Cc1cccc(C)c1Nc1ccc2c(c1)C(=O)N(CCCCCCC(=O)NO)C2=O.
What is the InChIKey of 7-[5-(2,6-dimethylanilino)-1,3-dioxoisoindol-2-yl]-N-hydroxyheptanamide?
The InChIKey is BMLCYZRQELFHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-15-8-7-9-16(2)21(15)24-17-11-12-18-19(14-17)23(29)26(22(18)28)13-6-4-3-5-10-20(27)25-30/h7-9,11-12,14,24,30H,3-6,10,13H2,1-2H3,(H,25,27).
What are the key properties of 7-[5-(2,6-dimethylanilino)-1,3-dioxoisoindol-2-yl]-N-hydroxyheptanamide?
7-[5-(2,6-dimethylanilino)-1,3-dioxoisoindol-2-yl]-N-hydroxyheptanamide has a molecular weight of 409.49 g/mol, XLogP of 4.10, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(2,6-dimethylanilino)-1,3-dioxoisoindol-2-yl]-N-hydroxyheptanamide is sourced from PubChem (CID 53340544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).