1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)ethanone

C13H17NO3 — CID 116591564

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)ethanone
SMILESCOCCNCC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H17NO3/c1-16-7-5-14-9-12(15)10-2-3-13-11(8-10)4-6-17-13/h2-3,8,14H,4-7,9H2,1H3
InChIKeyFTDYPXIGEZLBPT-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.04
Rot. Bonds6

About 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)ethanone

1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)ethanone (PubChem CID 116591564) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)ethanone
PubChem CID116591564
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)ethanone
SMILESCOCCNCC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H17NO3/c1-16-7-5-14-9-12(15)10-2-3-13-11(8-10)4-6-17-13/h2-3,8,14H,4-7,9H2,1H3
InChIKeyFTDYPXIGEZLBPT-UHFFFAOYSA-N
XLogP1.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.04
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

1-(2,3-dihydro-1-benzofuran-5-yl)-2-(propylamino)ethanone
CID 116562848
methyl 3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanoate
CID 70925454
2-(2-methoxyethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 82257753
2-anilino-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 116555381
3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanal
CID 116821577
N-(4-hydroxy-1-methoxybutan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 103799428
1-(3-amino-4-fluorophenyl)-2-(2-methoxyethylamino)ethanone
CID 98014554
2-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)acetamide
CID 62541518
N-[2-(2-methoxyethylamino)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 83038916
2-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-5-methoxypentan-1-one
CID 116593778
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119699062
N-(2-methylprop-2-enyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 114618555

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)ethanone?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)ethanone (CID 116591564) is 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)ethanone.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)ethanone?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)ethanone is COCCNCC(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)ethanone?
The InChIKey is FTDYPXIGEZLBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-16-7-5-14-9-12(15)10-2-3-13-11(8-10)4-6-17-13/h2-3,8,14H,4-7,9H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)ethanone?
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)ethanone has a molecular weight of 235.28 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)ethanone is sourced from PubChem (CID 116591564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).