N-(3-hydroxy-2-methylpropyl)-2-oxo-2-spiro[2H-indole-3,1'-cyclopropane]-1-ylacetamide

C16H20N2O3 — CID 111444365

IUPACN-(3-hydroxy-2-methylpropyl)-2-oxo-2-spiro[2H-indole-3,1'-cyclopropane]-1-ylacetamide
SMILESCC(CO)CNC(=O)C(=O)N1CC2(CC2)c2ccccc21
InChIInChI=1S/C16H20N2O3/c1-11(9-19)8-17-14(20)15(21)18-10-16(6-7-16)12-4-2-3-5-13(12)18/h2-5,11,19H,6-10H2,1H3,(H,17,20)
InChIKeyOJVBEVRZJJMXNJ-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.81
Rot. Bonds3

About N-(3-hydroxy-2-methylpropyl)-2-oxo-2-spiro[2H-indole-3,1'-cyclopropane]-1-ylacetamide

N-(3-hydroxy-2-methylpropyl)-2-oxo-2-spiro[2H-indole-3,1'-cyclopropane]-1-ylacetamide (PubChem CID 111444365) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylpropyl)-2-oxo-2-spiro[2H-indole-3,1'-cyclopropane]-1-ylacetamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylpropyl)-2-oxo-2-spiro[2H-indole-3,1'-cyclopropane]-1-ylacetamide
PubChem CID111444365
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-(3-hydroxy-2-methylpropyl)-2-oxo-2-spiro[2H-indole-3,1'-cyclopropane]-1-ylacetamide
SMILESCC(CO)CNC(=O)C(=O)N1CC2(CC2)c2ccccc21
InChIInChI=1S/C16H20N2O3/c1-11(9-19)8-17-14(20)15(21)18-10-16(6-7-16)12-4-2-3-5-13(12)18/h2-5,11,19H,6-10H2,1H3,(H,17,20)
InChIKeyOJVBEVRZJJMXNJ-UHFFFAOYSA-N
XLogP0.81
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxy-4-methylpentyl)-2-oxo-2-spiro[2H-indole-3,1'-cyclopropane]-1-ylacetamide
CID 111490805
N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-2-spiro[2H-indole-3,1'-cyclopropane]-1-ylacetamide
CID 111798653
N-(3-hydroxy-2-methylpropyl)-2-(4-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 48881758
2-methyl-3-oxo-3-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropanoic acid
CID 122065639
N-(1-methylsulfonylpropan-2-yl)spiro[2H-indole-3,1'-cyclopropane]-1-carboxamide
CID 167857598
2-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-N-(4-hydroxy-2-methylbutyl)-2-oxoacetamide
CID 111491029
spiro[2H-indole-3,1'-cyclohexane]-1-carboxylic acid
CID 175544645
1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone
CID 3039209
1'-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylic acid
CID 175853428
2-amino-3-methoxy-1-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropan-1-one;hydrochloride
CID 120990520
1-spiro[2H-indole-3,1'-cyclopentane]-1-ylbutan-1-one
CID 110750758
3-amino-2-methyl-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylbutan-1-one;hydrochloride
CID 120501177

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylpropyl)-2-oxo-2-spiro[2H-indole-3,1'-cyclopropane]-1-ylacetamide?
The IUPAC name of N-(3-hydroxy-2-methylpropyl)-2-oxo-2-spiro[2H-indole-3,1'-cyclopropane]-1-ylacetamide (CID 111444365) is N-(3-hydroxy-2-methylpropyl)-2-oxo-2-spiro[2H-indole-3,1'-cyclopropane]-1-ylacetamide.
What is the SMILES notation for N-(3-hydroxy-2-methylpropyl)-2-oxo-2-spiro[2H-indole-3,1'-cyclopropane]-1-ylacetamide?
The canonical SMILES for N-(3-hydroxy-2-methylpropyl)-2-oxo-2-spiro[2H-indole-3,1'-cyclopropane]-1-ylacetamide is CC(CO)CNC(=O)C(=O)N1CC2(CC2)c2ccccc21.
What is the InChIKey of N-(3-hydroxy-2-methylpropyl)-2-oxo-2-spiro[2H-indole-3,1'-cyclopropane]-1-ylacetamide?
The InChIKey is OJVBEVRZJJMXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11(9-19)8-17-14(20)15(21)18-10-16(6-7-16)12-4-2-3-5-13(12)18/h2-5,11,19H,6-10H2,1H3,(H,17,20).
What are the key properties of N-(3-hydroxy-2-methylpropyl)-2-oxo-2-spiro[2H-indole-3,1'-cyclopropane]-1-ylacetamide?
N-(3-hydroxy-2-methylpropyl)-2-oxo-2-spiro[2H-indole-3,1'-cyclopropane]-1-ylacetamide has a molecular weight of 288.35 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylpropyl)-2-oxo-2-spiro[2H-indole-3,1'-cyclopropane]-1-ylacetamide is sourced from PubChem (CID 111444365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).