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

C16H23NO2 — CID 86976042

IUPAC2-(2,3-dihydro-1H-inden-5-yloxy)-N-pentylacetamide
SMILESCCCCCNC(=O)COc1ccc2c(c1)CCC2
InChIInChI=1S/C16H23NO2/c1-2-3-4-10-17-16(18)12-19-15-9-8-13-6-5-7-14(13)11-15/h8-9,11H,2-7,10,12H2,1H3,(H,17,18)
InChIKeyGASJCQPPCQKNBA-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.86
Rot. Bonds7

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

2-(2,3-dihydro-1H-inden-5-yloxy)-N-pentylacetamide (PubChem CID 86976042) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yloxy)-N-pentylacetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yloxy)-N-pentylacetamide
PubChem CID86976042
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name2-(2,3-dihydro-1H-inden-5-yloxy)-N-pentylacetamide
SMILESCCCCCNC(=O)COc1ccc2c(c1)CCC2
InChIInChI=1S/C16H23NO2/c1-2-3-4-10-17-16(18)12-19-15-9-8-13-6-5-7-14(13)11-15/h8-9,11H,2-7,10,12H2,1H3,(H,17,18)
InChIKeyGASJCQPPCQKNBA-UHFFFAOYSA-N
XLogP2.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-N-propylacetamide
CID 9163185
N-(2-acetamidoethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 26655876
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 9022574
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(propylcarbamoyl)acetamide
CID 7642995
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(5-hydroxy-4-methylpentyl)acetamide
CID 103862218
N-pentyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133186847
2-[2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]ethoxy]acetic acid
CID 79468877
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-methoxyacetamide
CID 51275231
(2R)-N-pentyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100553248
N-butyl-2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetyl]amino]benzamide
CID 100577851

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-pentylacetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-pentylacetamide (CID 86976042) is 2-(2,3-dihydro-1H-inden-5-yloxy)-N-pentylacetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-pentylacetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-pentylacetamide is CCCCCNC(=O)COc1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-pentylacetamide?
The InChIKey is GASJCQPPCQKNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-3-4-10-17-16(18)12-19-15-9-8-13-6-5-7-14(13)11-15/h8-9,11H,2-7,10,12H2,1H3,(H,17,18).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-pentylacetamide?
2-(2,3-dihydro-1H-inden-5-yloxy)-N-pentylacetamide has a molecular weight of 261.36 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-pentylacetamide is sourced from PubChem (CID 86976042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).