4-[(2-tert-butylindol-1-yl)methyl]-N-hydroxybenzamide

C20H22N2O2 — CID 155533398

IUPAC4-[(2-tert-butylindol-1-yl)methyl]-N-hydroxybenzamide
SMILESCC(C)(C)c1cc2ccccc2n1Cc1ccc(C(=O)NO)cc1
InChIInChI=1S/C20H22N2O2/c1-20(2,3)18-12-16-6-4-5-7-17(16)22(18)13-14-8-10-15(11-9-14)19(23)21-24/h4-12,24H,13H2,1-3H3,(H,21,23)
InChIKeyYTLCVCCFNDIFMM-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.11
Rot. Bonds3

About 4-[(2-tert-butylindol-1-yl)methyl]-N-hydroxybenzamide

4-[(2-tert-butylindol-1-yl)methyl]-N-hydroxybenzamide (PubChem CID 155533398) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-[(2-tert-butylindol-1-yl)methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[(2-tert-butylindol-1-yl)methyl]-N-hydroxybenzamide
PubChem CID155533398
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name4-[(2-tert-butylindol-1-yl)methyl]-N-hydroxybenzamide
SMILESCC(C)(C)c1cc2ccccc2n1Cc1ccc(C(=O)NO)cc1
InChIInChI=1S/C20H22N2O2/c1-20(2,3)18-12-16-6-4-5-7-17(16)22(18)13-14-8-10-15(11-9-14)19(23)21-24/h4-12,24H,13H2,1-3H3,(H,21,23)
InChIKeyYTLCVCCFNDIFMM-UHFFFAOYSA-N
XLogP4.11
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.11
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

N-hydroxy-4-[(2-methyl-5-oxoimidazo[1,2-c]quinazolin-6-yl)methyl]benzamide
CID 171037927
4-tert-butyl-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 3314807
2-tert-butyl-1-(methoxymethyl)indole
CID 25156356
4-[(1-benzylbenzimidazol-2-yl)sulfanylmethyl]-N-hydroxybenzamide
CID 177378840
4-[[3-[2-(3,4-dihydroxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]methyl]-N-hydroxybenzamide
CID 151448807
N-hydroxy-4-[[3-(methylaminomethyl)-2-propylindol-1-yl]methyl]benzamide
CID 163829900
4-[(2,2-dimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)methyl]-N-hydroxybenzamide
CID 71525388
N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]-2,2-dimethylpropyl]-1-methylindole-2-carboxamide
CID 58417381
N-hydroxy-4-(1,2,3,4-tetrahydropyrido[3,4-b]indol-9-ylmethyl)benzamide
CID 50899051
4-[[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]-N-hydroxybenzamide
CID 138377601
N-hydroxy-1-[[4-(hydroxycarbamoyl)phenyl]methyl]indole-6-carboxamide
CID 146035570
4-(2-aminoethyl)-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 90680568

Frequently Asked Questions

What is the IUPAC name of 4-[(2-tert-butylindol-1-yl)methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[(2-tert-butylindol-1-yl)methyl]-N-hydroxybenzamide (CID 155533398) is 4-[(2-tert-butylindol-1-yl)methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[(2-tert-butylindol-1-yl)methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[(2-tert-butylindol-1-yl)methyl]-N-hydroxybenzamide is CC(C)(C)c1cc2ccccc2n1Cc1ccc(C(=O)NO)cc1.
What is the InChIKey of 4-[(2-tert-butylindol-1-yl)methyl]-N-hydroxybenzamide?
The InChIKey is YTLCVCCFNDIFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-20(2,3)18-12-16-6-4-5-7-17(16)22(18)13-14-8-10-15(11-9-14)19(23)21-24/h4-12,24H,13H2,1-3H3,(H,21,23).
What are the key properties of 4-[(2-tert-butylindol-1-yl)methyl]-N-hydroxybenzamide?
4-[(2-tert-butylindol-1-yl)methyl]-N-hydroxybenzamide has a molecular weight of 322.41 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-tert-butylindol-1-yl)methyl]-N-hydroxybenzamide is sourced from PubChem (CID 155533398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).