N-(2,3-dihydro-1H-inden-5-yl)-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide

C16H16N2O3 — CID 9354899

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide
SMILESO=C(COc1cccc[n+]1[O-])Nc1ccc2c(c1)CCC2
InChIInChI=1S/C16H16N2O3/c19-15(11-21-16-6-1-2-9-18(16)20)17-14-8-7-12-4-3-5-13(12)10-14/h1-2,6-10H,3-5,11H2,(H,17,19)
InChIKeyXQYASIDDRIRTDU-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.83
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-5-yl)-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide

N-(2,3-dihydro-1H-inden-5-yl)-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide (PubChem CID 9354899) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide
PubChem CID9354899
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide
SMILESO=C(COc1cccc[n+]1[O-])Nc1ccc2c(c1)CCC2
InChIInChI=1S/C16H16N2O3/c19-15(11-21-16-6-1-2-9-18(16)20)17-14-8-7-12-4-3-5-13(12)10-14/h1-2,6-10H,3-5,11H2,(H,17,19)
InChIKeyXQYASIDDRIRTDU-UHFFFAOYSA-N
XLogP1.83
TPSA65.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-(2,3-dihydro-1H-inden-5-yl)-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chlorophenyl)-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide
CID 9354796
N-(2,3-dihydro-1H-inden-5-yl)-2-(2-hydroxyphenoxy)acetamide
CID 78780058
N-(2,3-dihydro-1H-inden-5-yl)-2-(2-formylphenoxy)acetamide
CID 7762710
N-(2,3-dihydro-1H-inden-5-yl)-2-(4-methoxyphenoxy)acetamide
CID 2710612
N-(2,3-dihydro-1H-inden-5-yl)-2-(4-iodophenoxy)acetamide
CID 2627640
2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethoxy]acetic acid
CID 650247
2-(3-acetylphenoxy)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 2639907
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2,2-diphenylacetate
CID 7749895
N-(2,3-dihydro-1H-inden-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604888
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(3-fluorophenyl)acetamide
CID 2611402
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8523454
N-(2,3-dihydro-1H-inden-5-yl)-2-sulfanylacetamide
CID 60650065

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide (CID 9354899) is N-(2,3-dihydro-1H-inden-5-yl)-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide is O=C(COc1cccc[n+]1[O-])Nc1ccc2c(c1)CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide?
The InChIKey is XQYASIDDRIRTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c19-15(11-21-16-6-1-2-9-18(16)20)17-14-8-7-12-4-3-5-13(12)10-14/h1-2,6-10H,3-5,11H2,(H,17,19).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide?
N-(2,3-dihydro-1H-inden-5-yl)-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide has a molecular weight of 284.31 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide is sourced from PubChem (CID 9354899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).