N-(2-acetamidoethyl)-7-methyl-3-oxo-1,2-dihydroindene-1-carboxamide

C15H18N2O3 — CID 110677598

IUPACN-(2-acetamidoethyl)-7-methyl-3-oxo-1,2-dihydroindene-1-carboxamide
SMILESCC(=O)NCCNC(=O)C1CC(=O)c2cccc(C)c21
InChIInChI=1S/C15H18N2O3/c1-9-4-3-5-11-13(19)8-12(14(9)11)15(20)17-7-6-16-10(2)18/h3-5,12H,6-8H2,1-2H3,(H,16,18)(H,17,20)
InChIKeyJFGNPJUQKIRLHU-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.92
Rot. Bonds4

About N-(2-acetamidoethyl)-7-methyl-3-oxo-1,2-dihydroindene-1-carboxamide

N-(2-acetamidoethyl)-7-methyl-3-oxo-1,2-dihydroindene-1-carboxamide (PubChem CID 110677598) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-7-methyl-3-oxo-1,2-dihydroindene-1-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-7-methyl-3-oxo-1,2-dihydroindene-1-carboxamide
PubChem CID110677598
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-(2-acetamidoethyl)-7-methyl-3-oxo-1,2-dihydroindene-1-carboxamide
SMILESCC(=O)NCCNC(=O)C1CC(=O)c2cccc(C)c21
InChIInChI=1S/C15H18N2O3/c1-9-4-3-5-11-13(19)8-12(14(9)11)15(20)17-7-6-16-10(2)18/h3-5,12H,6-8H2,1-2H3,(H,16,18)(H,17,20)
InChIKeyJFGNPJUQKIRLHU-UHFFFAOYSA-N
XLogP0.92
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-7-methyl-3-oxo-1,2-dihydroindene-1-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-7-methyl-3-oxo-1,2-dihydroindene-1-carboxamide (CID 110677598) is N-(2-acetamidoethyl)-7-methyl-3-oxo-1,2-dihydroindene-1-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-7-methyl-3-oxo-1,2-dihydroindene-1-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-7-methyl-3-oxo-1,2-dihydroindene-1-carboxamide is CC(=O)NCCNC(=O)C1CC(=O)c2cccc(C)c21.
What is the InChIKey of N-(2-acetamidoethyl)-7-methyl-3-oxo-1,2-dihydroindene-1-carboxamide?
The InChIKey is JFGNPJUQKIRLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-9-4-3-5-11-13(19)8-12(14(9)11)15(20)17-7-6-16-10(2)18/h3-5,12H,6-8H2,1-2H3,(H,16,18)(H,17,20).
What are the key properties of N-(2-acetamidoethyl)-7-methyl-3-oxo-1,2-dihydroindene-1-carboxamide?
N-(2-acetamidoethyl)-7-methyl-3-oxo-1,2-dihydroindene-1-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-7-methyl-3-oxo-1,2-dihydroindene-1-carboxamide is sourced from PubChem (CID 110677598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).