N-(2-hydroxy-2,3-dimethylbutyl)-2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide

C17H24N2O3 — CID 111435771

IUPACN-(2-hydroxy-2,3-dimethylbutyl)-2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
SMILESCC1CN(C(=O)C(=O)NCC(C)(O)C(C)C)c2ccccc21
InChIInChI=1S/C17H24N2O3/c1-11(2)17(4,22)10-18-15(20)16(21)19-9-12(3)13-7-5-6-8-14(13)19/h5-8,11-12,22H,9-10H2,1-4H3,(H,18,20)
InChIKeyJPVRDDIIFJREQB-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.66
Rot. Bonds3

About N-(2-hydroxy-2,3-dimethylbutyl)-2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide

N-(2-hydroxy-2,3-dimethylbutyl)-2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide (PubChem CID 111435771) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dimethylbutyl)-2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dimethylbutyl)-2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
PubChem CID111435771
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-(2-hydroxy-2,3-dimethylbutyl)-2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
SMILESCC1CN(C(=O)C(=O)NCC(C)(O)C(C)C)c2ccccc21
InChIInChI=1S/C17H24N2O3/c1-11(2)17(4,22)10-18-15(20)16(21)19-9-12(3)13-7-5-6-8-14(13)19/h5-8,11-12,22H,9-10H2,1-4H3,(H,18,20)
InChIKeyJPVRDDIIFJREQB-UHFFFAOYSA-N
XLogP1.66
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide?
The IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide (CID 111435771) is N-(2-hydroxy-2,3-dimethylbutyl)-2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dimethylbutyl)-2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(2-hydroxy-2,3-dimethylbutyl)-2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide is CC1CN(C(=O)C(=O)NCC(C)(O)C(C)C)c2ccccc21.
What is the InChIKey of N-(2-hydroxy-2,3-dimethylbutyl)-2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide?
The InChIKey is JPVRDDIIFJREQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-11(2)17(4,22)10-18-15(20)16(21)19-9-12(3)13-7-5-6-8-14(13)19/h5-8,11-12,22H,9-10H2,1-4H3,(H,18,20).
What are the key properties of N-(2-hydroxy-2,3-dimethylbutyl)-2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide?
N-(2-hydroxy-2,3-dimethylbutyl)-2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide has a molecular weight of 304.39 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dimethylbutyl)-2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide is sourced from PubChem (CID 111435771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).