2-(2,3-dihydro-1H-inden-5-yloxy)-N-(5-hydroxy-4-methylpentyl)acetamide

C17H25NO3 — CID 103862218

IUPAC2-(2,3-dihydro-1H-inden-5-yloxy)-N-(5-hydroxy-4-methylpentyl)acetamide
SMILESCC(CO)CCCNC(=O)COc1ccc2c(c1)CCC2
InChIInChI=1S/C17H25NO3/c1-13(11-19)4-3-9-18-17(20)12-21-16-8-7-14-5-2-6-15(14)10-16/h7-8,10,13,19H,2-6,9,11-12H2,1H3,(H,18,20)
InChIKeyWYFUGJWJOBGRJC-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.08
Rot. Bonds8

About 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(5-hydroxy-4-methylpentyl)acetamide

2-(2,3-dihydro-1H-inden-5-yloxy)-N-(5-hydroxy-4-methylpentyl)acetamide (PubChem CID 103862218) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(5-hydroxy-4-methylpentyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yloxy)-N-(5-hydroxy-4-methylpentyl)acetamide
PubChem CID103862218
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-(2,3-dihydro-1H-inden-5-yloxy)-N-(5-hydroxy-4-methylpentyl)acetamide
SMILESCC(CO)CCCNC(=O)COc1ccc2c(c1)CCC2
InChIInChI=1S/C17H25NO3/c1-13(11-19)4-3-9-18-17(20)12-21-16-8-7-14-5-2-6-15(14)10-16/h7-8,10,13,19H,2-6,9,11-12H2,1H3,(H,18,20)
InChIKeyWYFUGJWJOBGRJC-UHFFFAOYSA-N
XLogP2.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.08
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
N-(2-acetamidoethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 26655876
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(3-methylbutan-2-yl)acetamide
CID 84602200
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
N-(5-hydroxy-4-methylpentyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 103861739
2-[[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]methyl]butanoic acid
CID 65217775
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-(4-phenylbutan-2-yl)acetamide
CID 16552545
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methoxyacetamide
CID 51275231

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(5-hydroxy-4-methylpentyl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(5-hydroxy-4-methylpentyl)acetamide (CID 103862218) is 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(5-hydroxy-4-methylpentyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(5-hydroxy-4-methylpentyl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(5-hydroxy-4-methylpentyl)acetamide is CC(CO)CCCNC(=O)COc1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(5-hydroxy-4-methylpentyl)acetamide?
The InChIKey is WYFUGJWJOBGRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-13(11-19)4-3-9-18-17(20)12-21-16-8-7-14-5-2-6-15(14)10-16/h7-8,10,13,19H,2-6,9,11-12H2,1H3,(H,18,20).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(5-hydroxy-4-methylpentyl)acetamide?
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(5-hydroxy-4-methylpentyl)acetamide has a molecular weight of 291.39 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 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-(5-hydroxy-4-methylpentyl)acetamide is sourced from PubChem (CID 103862218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).