2-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-5-methoxypentan-1-one

C14H19NO3 — CID 116593778

IUPAC2-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-5-methoxypentan-1-one
SMILESCOCCCC(N)C(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H19NO3/c1-17-7-2-3-12(15)14(16)11-4-5-13-10(9-11)6-8-18-13/h4-5,9,12H,2-3,6-8,15H2,1H3
InChIKeyUAEBAMOZQSJDKF-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.56
Rot. Bonds6

About 2-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-5-methoxypentan-1-one

2-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-5-methoxypentan-1-one (PubChem CID 116593778) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-5-methoxypentan-1-one.

Molecular Properties

Compound Name2-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-5-methoxypentan-1-one
PubChem CID116593778
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-5-methoxypentan-1-one
SMILESCOCCCC(N)C(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H19NO3/c1-17-7-2-3-12(15)14(16)11-4-5-13-10(9-11)6-8-18-13/h4-5,9,12H,2-3,6-8,15H2,1H3
InChIKeyUAEBAMOZQSJDKF-UHFFFAOYSA-N
XLogP1.56
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanoic acid
CID 116920551
2-amino-5-methoxy-1-(2-methylquinolin-6-yl)pentan-1-one
CID 116593733
N-(4-hydroxy-1-methoxybutan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 103799428
2-amino-1-(3,4-diethoxyphenyl)-5-methoxypentan-1-one
CID 116593857
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)ethanone
CID 116591564
methyl 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)-2-hydroxypropanoate
CID 103879254
1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethyl-2-hydroxypentan-1-one
CID 103458617
methyl 3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanoate
CID 70925454
N-(3-amino-2-methylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 62667060
2-amino-1-(3,4-dimethylphenyl)-4-methoxybutan-1-one
CID 116567299
2-amino-1-(3,5-difluorophenyl)-5-methoxypentan-1-one
CID 116593859
1-(2,3-dihydro-1-benzofuran-5-yl)-4-methylpentan-1-one
CID 43160511

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-5-methoxypentan-1-one?
The IUPAC name of 2-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-5-methoxypentan-1-one (CID 116593778) is 2-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-5-methoxypentan-1-one.
What is the SMILES notation for 2-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-5-methoxypentan-1-one?
The canonical SMILES for 2-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-5-methoxypentan-1-one is COCCCC(N)C(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of 2-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-5-methoxypentan-1-one?
The InChIKey is UAEBAMOZQSJDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-17-7-2-3-12(15)14(16)11-4-5-13-10(9-11)6-8-18-13/h4-5,9,12H,2-3,6-8,15H2,1H3.
What are the key properties of 2-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-5-methoxypentan-1-one?
2-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-5-methoxypentan-1-one has a molecular weight of 249.31 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-5-methoxypentan-1-one is sourced from PubChem (CID 116593778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).