2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-N-pentan-3-ylacetamide

C16H23NO3 — CID 63089490

IUPAC2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)COc1cccc2c1CCC2O
InChIInChI=1S/C16H23NO3/c1-3-11(4-2)17-16(19)10-20-15-7-5-6-12-13(15)8-9-14(12)18/h5-7,11,14,18H,3-4,8-10H2,1-2H3,(H,17,19)
InChIKeyRXZBXTXXSQQIFQ-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.35
Rot. Bonds6

About 2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-N-pentan-3-ylacetamide

2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-N-pentan-3-ylacetamide (PubChem CID 63089490) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-N-pentan-3-ylacetamide
PubChem CID63089490
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)COc1cccc2c1CCC2O
InChIInChI=1S/C16H23NO3/c1-3-11(4-2)17-16(19)10-20-15-7-5-6-12-13(15)8-9-14(12)18/h5-7,11,14,18H,3-4,8-10H2,1-2H3,(H,17,19)
InChIKeyRXZBXTXXSQQIFQ-UHFFFAOYSA-N
XLogP2.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-N-pentan-3-ylacetamide
CID 63089577
N-cyclopropyl-2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]acetamide
CID 63091231
2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N-pentan-2-ylacetamide
CID 60623659
3-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-N-propan-2-ylpropanamide
CID 63090874
2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-N-(oxan-4-yl)acetamide
CID 63091211
N-(2,6-diethylphenyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide
CID 42899618
N-(2,6-dimethylphenyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide
CID 42899606
2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-N-(4-propan-2-ylphenyl)acetamide
CID 39921821
2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylethanone
CID 63090854
2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N-(2-propan-2-ylphenyl)acetamide
CID 42899623
N-(3-chlorophenyl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide
CID 39921895
(1R)-4-(cyclopropylmethoxy)-2,3-dihydro-1H-inden-1-ol
CID 95012649

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-N-pentan-3-ylacetamide (CID 63089490) is 2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-N-pentan-3-ylacetamide is CCC(CC)NC(=O)COc1cccc2c1CCC2O.
What is the InChIKey of 2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-N-pentan-3-ylacetamide?
The InChIKey is RXZBXTXXSQQIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-11(4-2)17-16(19)10-20-15-7-5-6-12-13(15)8-9-14(12)18/h5-7,11,14,18H,3-4,8-10H2,1-2H3,(H,17,19).
What are the key properties of 2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-N-pentan-3-ylacetamide?
2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-N-pentan-3-ylacetamide has a molecular weight of 277.36 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-N-pentan-3-ylacetamide is sourced from PubChem (CID 63089490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).