N-(3-hydroxy-4-methylpentyl)-2-oxo-2-spiro[2H-indole-3,1'-cyclopropane]-1-ylacetamide

C18H24N2O3 — CID 111490805

IUPACN-(3-hydroxy-4-methylpentyl)-2-oxo-2-spiro[2H-indole-3,1'-cyclopropane]-1-ylacetamide
SMILESCC(C)C(O)CCNC(=O)C(=O)N1CC2(CC2)c2ccccc21
InChIInChI=1S/C18H24N2O3/c1-12(2)15(21)7-10-19-16(22)17(23)20-11-18(8-9-18)13-5-3-4-6-14(13)20/h3-6,12,15,21H,7-11H2,1-2H3,(H,19,22)
InChIKeyJSDUQSCJAUKQFY-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.59
Rot. Bonds4

About N-(3-hydroxy-4-methylpentyl)-2-oxo-2-spiro[2H-indole-3,1'-cyclopropane]-1-ylacetamide

N-(3-hydroxy-4-methylpentyl)-2-oxo-2-spiro[2H-indole-3,1'-cyclopropane]-1-ylacetamide (PubChem CID 111490805) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-(3-hydroxy-4-methylpentyl)-2-oxo-2-spiro[2H-indole-3,1'-cyclopropane]-1-ylacetamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methylpentyl)-2-oxo-2-spiro[2H-indole-3,1'-cyclopropane]-1-ylacetamide
PubChem CID111490805
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-(3-hydroxy-4-methylpentyl)-2-oxo-2-spiro[2H-indole-3,1'-cyclopropane]-1-ylacetamide
SMILESCC(C)C(O)CCNC(=O)C(=O)N1CC2(CC2)c2ccccc21
InChIInChI=1S/C18H24N2O3/c1-12(2)15(21)7-10-19-16(22)17(23)20-11-18(8-9-18)13-5-3-4-6-14(13)20/h3-6,12,15,21H,7-11H2,1-2H3,(H,19,22)
InChIKeyJSDUQSCJAUKQFY-UHFFFAOYSA-N
XLogP1.59
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.59
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-(3-hydroxy-4-methylpentyl)-2-oxo-2-spiro[2H-indole-3,1'-cyclopropane]-1-ylacetamide?
The IUPAC name of N-(3-hydroxy-4-methylpentyl)-2-oxo-2-spiro[2H-indole-3,1'-cyclopropane]-1-ylacetamide (CID 111490805) is N-(3-hydroxy-4-methylpentyl)-2-oxo-2-spiro[2H-indole-3,1'-cyclopropane]-1-ylacetamide.
What is the SMILES notation for N-(3-hydroxy-4-methylpentyl)-2-oxo-2-spiro[2H-indole-3,1'-cyclopropane]-1-ylacetamide?
The canonical SMILES for N-(3-hydroxy-4-methylpentyl)-2-oxo-2-spiro[2H-indole-3,1'-cyclopropane]-1-ylacetamide is CC(C)C(O)CCNC(=O)C(=O)N1CC2(CC2)c2ccccc21.
What is the InChIKey of N-(3-hydroxy-4-methylpentyl)-2-oxo-2-spiro[2H-indole-3,1'-cyclopropane]-1-ylacetamide?
The InChIKey is JSDUQSCJAUKQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-12(2)15(21)7-10-19-16(22)17(23)20-11-18(8-9-18)13-5-3-4-6-14(13)20/h3-6,12,15,21H,7-11H2,1-2H3,(H,19,22).
What are the key properties of N-(3-hydroxy-4-methylpentyl)-2-oxo-2-spiro[2H-indole-3,1'-cyclopropane]-1-ylacetamide?
N-(3-hydroxy-4-methylpentyl)-2-oxo-2-spiro[2H-indole-3,1'-cyclopropane]-1-ylacetamide has a molecular weight of 316.40 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methylpentyl)-2-oxo-2-spiro[2H-indole-3,1'-cyclopropane]-1-ylacetamide is sourced from PubChem (CID 111490805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).