N'-(1-hydroxy-2-methylpropan-2-yl)-N-(1H-indol-6-yl)oxamide

C14H17N3O3 — CID 39353331

IUPACN'-(1-hydroxy-2-methylpropan-2-yl)-N-(1H-indol-6-yl)oxamide
SMILESCC(C)(CO)NC(=O)C(=O)Nc1ccc2cc[nH]c2c1
InChIInChI=1S/C14H17N3O3/c1-14(2,8-18)17-13(20)12(19)16-10-4-3-9-5-6-15-11(9)7-10/h3-7,15,18H,8H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyROXZNERGOYDMIK-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.99
Rot. Bonds3

About N'-(1-hydroxy-2-methylpropan-2-yl)-N-(1H-indol-6-yl)oxamide

N'-(1-hydroxy-2-methylpropan-2-yl)-N-(1H-indol-6-yl)oxamide (PubChem CID 39353331) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N'-(1-hydroxy-2-methylpropan-2-yl)-N-(1H-indol-6-yl)oxamide.

Molecular Properties

Compound NameN'-(1-hydroxy-2-methylpropan-2-yl)-N-(1H-indol-6-yl)oxamide
PubChem CID39353331
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN'-(1-hydroxy-2-methylpropan-2-yl)-N-(1H-indol-6-yl)oxamide
SMILESCC(C)(CO)NC(=O)C(=O)Nc1ccc2cc[nH]c2c1
InChIInChI=1S/C14H17N3O3/c1-14(2,8-18)17-13(20)12(19)16-10-4-3-9-5-6-15-11(9)7-10/h3-7,15,18H,8H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyROXZNERGOYDMIK-UHFFFAOYSA-N
XLogP0.99
TPSA94.22 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N'-(1-hydroxy-2-methylpropan-2-yl)-N-(1H-indol-6-yl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(1-hydroxy-2-methylpropan-2-yl)-N-(1H-indol-6-yl)oxamide?
The IUPAC name of N'-(1-hydroxy-2-methylpropan-2-yl)-N-(1H-indol-6-yl)oxamide (CID 39353331) is N'-(1-hydroxy-2-methylpropan-2-yl)-N-(1H-indol-6-yl)oxamide.
What is the SMILES notation for N'-(1-hydroxy-2-methylpropan-2-yl)-N-(1H-indol-6-yl)oxamide?
The canonical SMILES for N'-(1-hydroxy-2-methylpropan-2-yl)-N-(1H-indol-6-yl)oxamide is CC(C)(CO)NC(=O)C(=O)Nc1ccc2cc[nH]c2c1.
What is the InChIKey of N'-(1-hydroxy-2-methylpropan-2-yl)-N-(1H-indol-6-yl)oxamide?
The InChIKey is ROXZNERGOYDMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-14(2,8-18)17-13(20)12(19)16-10-4-3-9-5-6-15-11(9)7-10/h3-7,15,18H,8H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N'-(1-hydroxy-2-methylpropan-2-yl)-N-(1H-indol-6-yl)oxamide?
N'-(1-hydroxy-2-methylpropan-2-yl)-N-(1H-indol-6-yl)oxamide has a molecular weight of 275.31 g/mol, XLogP of 0.99, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-hydroxy-2-methylpropan-2-yl)-N-(1H-indol-6-yl)oxamide is sourced from PubChem (CID 39353331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).