2-(2,3-dihydro-1H-inden-5-yloxy)-N-methoxyacetamide

C12H15NO3 — CID 51275231

IUPAC2-(2,3-dihydro-1H-inden-5-yloxy)-N-methoxyacetamide
SMILESCONC(=O)COc1ccc2c(c1)CCC2
InChIInChI=1S/C12H15NO3/c1-15-13-12(14)8-16-11-6-5-9-3-2-4-10(9)7-11/h5-7H,2-4,8H2,1H3,(H,13,14)
InChIKeyXCLXUVGGVNSQAA-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.23
Rot. Bonds4

About 2-(2,3-dihydro-1H-inden-5-yloxy)-N-methoxyacetamide

2-(2,3-dihydro-1H-inden-5-yloxy)-N-methoxyacetamide (PubChem CID 51275231) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yloxy)-N-methoxyacetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yloxy)-N-methoxyacetamide
PubChem CID51275231
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-(2,3-dihydro-1H-inden-5-yloxy)-N-methoxyacetamide
SMILESCONC(=O)COc1ccc2c(c1)CCC2
InChIInChI=1S/C12H15NO3/c1-15-13-12(14)8-16-11-6-5-9-3-2-4-10(9)7-11/h5-7H,2-4,8H2,1H3,(H,13,14)
InChIKeyXCLXUVGGVNSQAA-UHFFFAOYSA-N
XLogP1.23
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 43082820
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(3-methylbutan-2-yl)acetamide
CID 84602200
N-(2-acetamidoethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 26655876
dimethyl 5-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 2711603
2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-2-methylpropanoic acid
CID 61261141
1-(2,3-dihydro-1H-inden-5-yloxy)butan-2-one
CID 62038923
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(propylcarbamoyl)acetamide
CID 7642995
2-(2,3-dihydro-1H-inden-5-yloxy)-N-pentylacetamide
CID 86976042
2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-N-propylacetamide
CID 9163185
N-(4-tert-butylphenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 112978184
methyl 2-[4-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-3-methylphenoxy]acetate
CID 55916355
N-(2,3-dihydro-1H-inden-5-yl)-2-(4-methoxyphenoxy)acetamide
CID 2710612

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-methoxyacetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-methoxyacetamide (CID 51275231) is 2-(2,3-dihydro-1H-inden-5-yloxy)-N-methoxyacetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-methoxyacetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-methoxyacetamide is CONC(=O)COc1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-methoxyacetamide?
The InChIKey is XCLXUVGGVNSQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-15-13-12(14)8-16-11-6-5-9-3-2-4-10(9)7-11/h5-7H,2-4,8H2,1H3,(H,13,14).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-methoxyacetamide?
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methoxyacetamide has a molecular weight of 221.26 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-methoxyacetamide is sourced from PubChem (CID 51275231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).