3-butan-2-yl-N-hydroxy-1-methylindole-6-carboxamide

C14H18N2O2 — CID 88937454

IUPAC3-butan-2-yl-N-hydroxy-1-methylindole-6-carboxamide
SMILESCCC(C)c1cn(C)c2cc(C(=O)NO)ccc12
InChIInChI=1S/C14H18N2O2/c1-4-9(2)12-8-16(3)13-7-10(14(17)15-18)5-6-11(12)13/h5-9,18H,4H2,1-3H3,(H,15,17)
InChIKeyXUJJGJWHQFQXIF-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.81
Rot. Bonds3

About 3-butan-2-yl-N-hydroxy-1-methylindole-6-carboxamide

3-butan-2-yl-N-hydroxy-1-methylindole-6-carboxamide (PubChem CID 88937454) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-butan-2-yl-N-hydroxy-1-methylindole-6-carboxamide.

Molecular Properties

Compound Name3-butan-2-yl-N-hydroxy-1-methylindole-6-carboxamide
PubChem CID88937454
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name3-butan-2-yl-N-hydroxy-1-methylindole-6-carboxamide
SMILESCCC(C)c1cn(C)c2cc(C(=O)NO)ccc12
InChIInChI=1S/C14H18N2O2/c1-4-9(2)12-8-16(3)13-7-10(14(17)15-18)5-6-11(12)13/h5-9,18H,4H2,1-3H3,(H,15,17)
InChIKeyXUJJGJWHQFQXIF-UHFFFAOYSA-N
XLogP2.81
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.81
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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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-N-hydroxy-1-methylindole-6-carboxamide?
The IUPAC name of 3-butan-2-yl-N-hydroxy-1-methylindole-6-carboxamide (CID 88937454) is 3-butan-2-yl-N-hydroxy-1-methylindole-6-carboxamide.
What is the SMILES notation for 3-butan-2-yl-N-hydroxy-1-methylindole-6-carboxamide?
The canonical SMILES for 3-butan-2-yl-N-hydroxy-1-methylindole-6-carboxamide is CCC(C)c1cn(C)c2cc(C(=O)NO)ccc12.
What is the InChIKey of 3-butan-2-yl-N-hydroxy-1-methylindole-6-carboxamide?
The InChIKey is XUJJGJWHQFQXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-4-9(2)12-8-16(3)13-7-10(14(17)15-18)5-6-11(12)13/h5-9,18H,4H2,1-3H3,(H,15,17).
What are the key properties of 3-butan-2-yl-N-hydroxy-1-methylindole-6-carboxamide?
3-butan-2-yl-N-hydroxy-1-methylindole-6-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-N-hydroxy-1-methylindole-6-carboxamide is sourced from PubChem (CID 88937454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).