2-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]-N-propylacetamide

C15H22N2O3 — CID 63094817

IUPAC2-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]-N-propylacetamide
SMILESCCCNC(=O)COc1ccc2c(c1)OCC2NCC
InChIInChI=1S/C15H22N2O3/c1-3-7-17-15(18)10-19-11-5-6-12-13(16-4-2)9-20-14(12)8-11/h5-6,8,13,16H,3-4,7,9-10H2,1-2H3,(H,17,18)
InChIKeyWTGZNRBBYKOFNF-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.63
Rot. Bonds7

About 2-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]-N-propylacetamide

2-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]-N-propylacetamide (PubChem CID 63094817) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]-N-propylacetamide.

Molecular Properties

Compound Name2-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]-N-propylacetamide
PubChem CID63094817
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]-N-propylacetamide
SMILESCCCNC(=O)COc1ccc2c(c1)OCC2NCC
InChIInChI=1S/C15H22N2O3/c1-3-7-17-15(18)10-19-11-5-6-12-13(16-4-2)9-20-14(12)8-11/h5-6,8,13,16H,3-4,7,9-10H2,1-2H3,(H,17,18)
InChIKeyWTGZNRBBYKOFNF-UHFFFAOYSA-N
XLogP1.63
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]acetamide
CID 63097450
N-ethyl-6-propoxy-2,3-dihydro-1-benzofuran-3-amine
CID 63097103
1-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxymethyl]cyclohexan-1-ol
CID 65208377
6-(2,3-dichloroprop-2-enoxy)-N-ethyl-2,3-dihydro-1-benzofuran-3-amine
CID 79168481
3-[[3-(propylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]propanamide
CID 63097104
methyl 3-[[3-(propylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]propanoate
CID 63949104
2-[[3-(propylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]propanoic acid
CID 55182410
N-ethyl-6-(2-ethylsulfonylethoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 63095519
N-ethyl-6-(3-ethylsulfonylpropoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 65094225
2-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]-N-pentan-3-ylacetamide
CID 63095853
N-ethyl-6-(3-methylbutoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 55219020
6-(2-ethylsulfonylethoxy)-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 63095875

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]-N-propylacetamide?
The IUPAC name of 2-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]-N-propylacetamide (CID 63094817) is 2-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]-N-propylacetamide.
What is the SMILES notation for 2-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]-N-propylacetamide?
The canonical SMILES for 2-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]-N-propylacetamide is CCCNC(=O)COc1ccc2c(c1)OCC2NCC.
What is the InChIKey of 2-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]-N-propylacetamide?
The InChIKey is WTGZNRBBYKOFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-7-17-15(18)10-19-11-5-6-12-13(16-4-2)9-20-14(12)8-11/h5-6,8,13,16H,3-4,7,9-10H2,1-2H3,(H,17,18).
What are the key properties of 2-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]-N-propylacetamide?
2-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]-N-propylacetamide has a molecular weight of 278.35 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]-N-propylacetamide is sourced from PubChem (CID 63094817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).