N-(4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)propanamide

C13H16N2O3 — CID 23064233

IUPACN-(4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)propanamide
SMILESCCC(=O)Nc1ccc2c(c1O)C(C)(C)C(=O)N2
InChIInChI=1S/C13H16N2O3/c1-4-9(16)14-8-6-5-7-10(11(8)17)13(2,3)12(18)15-7/h5-6,17H,4H2,1-3H3,(H,14,16)(H,15,18)
InChIKeyWZOIPLDJPZQCGL-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.97
Rot. Bonds2

About N-(4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)propanamide

N-(4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)propanamide (PubChem CID 23064233) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-(4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)propanamide.

Molecular Properties

Compound NameN-(4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)propanamide
PubChem CID23064233
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-(4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)propanamide
SMILESCCC(=O)Nc1ccc2c(c1O)C(C)(C)C(=O)N2
InChIInChI=1S/C13H16N2O3/c1-4-9(16)14-8-6-5-7-10(11(8)17)13(2,3)12(18)15-7/h5-6,17H,4H2,1-3H3,(H,14,16)(H,15,18)
InChIKeyWZOIPLDJPZQCGL-UHFFFAOYSA-N
XLogP1.97
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)propanamide?
The IUPAC name of N-(4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)propanamide (CID 23064233) is N-(4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)propanamide.
What is the SMILES notation for N-(4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)propanamide?
The canonical SMILES for N-(4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)propanamide is CCC(=O)Nc1ccc2c(c1O)C(C)(C)C(=O)N2.
What is the InChIKey of N-(4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)propanamide?
The InChIKey is WZOIPLDJPZQCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-4-9(16)14-8-6-5-7-10(11(8)17)13(2,3)12(18)15-7/h5-6,17H,4H2,1-3H3,(H,14,16)(H,15,18).
What are the key properties of N-(4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)propanamide?
N-(4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)propanamide has a molecular weight of 248.28 g/mol, XLogP of 1.97, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)propanamide is sourced from PubChem (CID 23064233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).