4-[1-(3,5-dimethylindol-1-yl)-2,2-dimethylpropyl]-N-hydroxybenzamide

C22H26N2O2 — CID 87383896

IUPAC4-[1-(3,5-dimethylindol-1-yl)-2,2-dimethylpropyl]-N-hydroxybenzamide
SMILESCc1ccc2c(c1)c(C)cn2C(c1ccc(C(=O)NO)cc1)C(C)(C)C
InChIInChI=1S/C22H26N2O2/c1-14-6-11-19-18(12-14)15(2)13-24(19)20(22(3,4)5)16-7-9-17(10-8-16)21(25)23-26/h6-13,20,26H,1-5H3,(H,23,25)
InChIKeyKAPFTDDXPIKABW-UHFFFAOYSA-N
MW350.46 g/mol
LogP5.01
Rot. Bonds3

About 4-[1-(3,5-dimethylindol-1-yl)-2,2-dimethylpropyl]-N-hydroxybenzamide

4-[1-(3,5-dimethylindol-1-yl)-2,2-dimethylpropyl]-N-hydroxybenzamide (PubChem CID 87383896) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 4-[1-(3,5-dimethylindol-1-yl)-2,2-dimethylpropyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[1-(3,5-dimethylindol-1-yl)-2,2-dimethylpropyl]-N-hydroxybenzamide
PubChem CID87383896
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name4-[1-(3,5-dimethylindol-1-yl)-2,2-dimethylpropyl]-N-hydroxybenzamide
SMILESCc1ccc2c(c1)c(C)cn2C(c1ccc(C(=O)NO)cc1)C(C)(C)C
InChIInChI=1S/C22H26N2O2/c1-14-6-11-19-18(12-14)15(2)13-24(19)20(22(3,4)5)16-7-9-17(10-8-16)21(25)23-26/h6-13,20,26H,1-5H3,(H,23,25)
InChIKeyKAPFTDDXPIKABW-UHFFFAOYSA-N
XLogP5.01
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.46
LogP ≤ 55.01
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

2-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]indol-1-yl]propanoic acid
CID 142479070
2-fluoro-N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-5-methylbenzamide
CID 53374350
3-methyl-1,5-di(propan-2-yl)indole
CID 176559687
1,3-dimethylindole-5-carbohydrazide
CID 169299009
N-[1-[4-(hydroxycarbamoyl)phenyl]-2,2-dimethylpropyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 58417460
3-butan-2-yl-N-hydroxy-1-methylindole-6-carboxamide
CID 88937454
N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]-2,2-dimethylpropyl]-1-methylindole-2-carboxamide
CID 58417381
N-hydroxy-4-[(5-methylbenzimidazol-1-yl)methyl]benzamide
CID 71502389
4-[1-[(4-fluoro-2-methylphenyl)sulfonylamino]ethyl]-N-hydroxybenzamide
CID 58417630
N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-3,5-bis(trifluoromethyl)benzamide
CID 87384322
N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1-methylindole-2-carboxamide
CID 58417663
1-(3,5-dimethylindol-1-yl)-N,2-dimethylpropan-2-amine
CID 170000398

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,5-dimethylindol-1-yl)-2,2-dimethylpropyl]-N-hydroxybenzamide?
The IUPAC name of 4-[1-(3,5-dimethylindol-1-yl)-2,2-dimethylpropyl]-N-hydroxybenzamide (CID 87383896) is 4-[1-(3,5-dimethylindol-1-yl)-2,2-dimethylpropyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[1-(3,5-dimethylindol-1-yl)-2,2-dimethylpropyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[1-(3,5-dimethylindol-1-yl)-2,2-dimethylpropyl]-N-hydroxybenzamide is Cc1ccc2c(c1)c(C)cn2C(c1ccc(C(=O)NO)cc1)C(C)(C)C.
What is the InChIKey of 4-[1-(3,5-dimethylindol-1-yl)-2,2-dimethylpropyl]-N-hydroxybenzamide?
The InChIKey is KAPFTDDXPIKABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-14-6-11-19-18(12-14)15(2)13-24(19)20(22(3,4)5)16-7-9-17(10-8-16)21(25)23-26/h6-13,20,26H,1-5H3,(H,23,25).
What are the key properties of 4-[1-(3,5-dimethylindol-1-yl)-2,2-dimethylpropyl]-N-hydroxybenzamide?
4-[1-(3,5-dimethylindol-1-yl)-2,2-dimethylpropyl]-N-hydroxybenzamide has a molecular weight of 350.46 g/mol, XLogP of 5.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,5-dimethylindol-1-yl)-2,2-dimethylpropyl]-N-hydroxybenzamide is sourced from PubChem (CID 87383896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).