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

C15H20N2O3 — CID 26655876

IUPACN-(2-acetamidoethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
SMILESCC(=O)NCCNC(=O)COc1ccc2c(c1)CCC2
InChIInChI=1S/C15H20N2O3/c1-11(18)16-7-8-17-15(19)10-20-14-6-5-12-3-2-4-13(12)9-14/h5-6,9H,2-4,7-8,10H2,1H3,(H,16,18)(H,17,19)
InChIKeyALEATBLAVCIJPI-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.81
Rot. Bonds6

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

N-(2-acetamidoethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide (PubChem CID 26655876) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
PubChem CID26655876
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-(2-acetamidoethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
SMILESCC(=O)NCCNC(=O)COc1ccc2c(c1)CCC2
InChIInChI=1S/C15H20N2O3/c1-11(18)16-7-8-17-15(19)10-20-14-6-5-12-3-2-4-13(12)9-14/h5-6,9H,2-4,7-8,10H2,1H3,(H,16,18)(H,17,19)
InChIKeyALEATBLAVCIJPI-UHFFFAOYSA-N
XLogP0.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.81
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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Related Compounds

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
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 9022574
2-[2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]ethoxy]acetic acid
CID 79468877
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 27770063
2-(4-chlorophenoxy)-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]acetamide
CID 113101452
2-(4-methylphenoxy)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
CID 113101573
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(5-hydroxy-4-methylpentyl)acetamide
CID 103862218
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methoxyacetamide
CID 51275231
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(propylcarbamoyl)acetamide
CID 7642995
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 26181147
N-[2-(4-tert-butylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
CID 100561035

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide?
The IUPAC name of N-(2-acetamidoethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide (CID 26655876) is N-(2-acetamidoethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide is CC(=O)NCCNC(=O)COc1ccc2c(c1)CCC2.
What is the InChIKey of N-(2-acetamidoethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide?
The InChIKey is ALEATBLAVCIJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11(18)16-7-8-17-15(19)10-20-14-6-5-12-3-2-4-13(12)9-14/h5-6,9H,2-4,7-8,10H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-(2-acetamidoethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide?
N-(2-acetamidoethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide has a molecular weight of 276.34 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide is sourced from PubChem (CID 26655876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).