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

C16H24N2O2 — CID 63089577

IUPAC2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)COc1cccc2c1CCC2N
InChIInChI=1S/C16H24N2O2/c1-3-11(4-2)18-16(19)10-20-15-7-5-6-12-13(15)8-9-14(12)17/h5-7,11,14H,3-4,8-10,17H2,1-2H3,(H,18,19)
InChIKeyUWMZGCAEERFPQA-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.32
Rot. Bonds6

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

2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-N-pentan-3-ylacetamide (PubChem CID 63089577) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-N-pentan-3-ylacetamide
PubChem CID63089577
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)COc1cccc2c1CCC2N
InChIInChI=1S/C16H24N2O2/c1-3-11(4-2)18-16(19)10-20-15-7-5-6-12-13(15)8-9-14(12)17/h5-7,11,14H,3-4,8-10,17H2,1-2H3,(H,18,19)
InChIKeyUWMZGCAEERFPQA-UHFFFAOYSA-N
XLogP2.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-N-pentan-3-ylacetamide
CID 63089490
2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-N-(2-methylpropyl)acetamide
CID 63091712
2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-N-cyclopentylacetamide
CID 63090820
2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 63091521
2-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N-(cyanomethyl)acetamide
CID 65455158
1-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-3-methylbutan-2-ol
CID 114249414
2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylethanone
CID 63090647
2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N-pentan-2-ylacetamide
CID 60623659
2-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N,N-diethylacetamide
CID 65455345
4-(2-propoxyethoxy)-2,3-dihydro-1H-inden-1-amine
CID 106450266
2-[2-(aminomethyl)-3-fluorophenoxy]-N-pentan-3-ylacetamide
CID 61486944
methyl 2-amino-6-[2-oxo-2-(pentan-3-ylamino)ethoxy]benzoate
CID 107341978

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-N-pentan-3-ylacetamide (CID 63089577) is 2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-N-pentan-3-ylacetamide is CCC(CC)NC(=O)COc1cccc2c1CCC2N.
What is the InChIKey of 2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-N-pentan-3-ylacetamide?
The InChIKey is UWMZGCAEERFPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-11(4-2)18-16(19)10-20-15-7-5-6-12-13(15)8-9-14(12)17/h5-7,11,14H,3-4,8-10,17H2,1-2H3,(H,18,19).
What are the key properties of 2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-N-pentan-3-ylacetamide?
2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-N-pentan-3-ylacetamide has a molecular weight of 276.38 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-N-pentan-3-ylacetamide is sourced from PubChem (CID 63089577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).