2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]-N-(2-methoxyethyl)propanamide

C14H20N2O4 — CID 63094789

IUPAC2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Oc1ccc2c(c1)OCC2N
InChIInChI=1S/C14H20N2O4/c1-9(14(17)16-5-6-18-2)20-10-3-4-11-12(15)8-19-13(11)7-10/h3-4,7,9,12H,5-6,8,15H2,1-2H3,(H,16,17)
InChIKeyPDZHBKJDQXHHDM-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.61
Rot. Bonds6

About 2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]-N-(2-methoxyethyl)propanamide

2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]-N-(2-methoxyethyl)propanamide (PubChem CID 63094789) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]-N-(2-methoxyethyl)propanamide
PubChem CID63094789
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Oc1ccc2c(c1)OCC2N
InChIInChI=1S/C14H20N2O4/c1-9(14(17)16-5-6-18-2)20-10-3-4-11-12(15)8-19-13(11)7-10/h3-4,7,9,12H,5-6,8,15H2,1-2H3,(H,16,17)
InChIKeyPDZHBKJDQXHHDM-UHFFFAOYSA-N
XLogP0.61
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-2-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propanamide
CID 107683568
2-(3-amino-4-methoxyphenoxy)-N-(2-methoxyethyl)propanamide
CID 103201194
(2S)-N-(2-methoxyethyl)-2-phenoxypropanamide
CID 2162450
2-(3-fluorophenoxy)-N-(2-methoxyethyl)propanamide
CID 60675242
(2S)-N-(2-methoxyethyl)-2-(7-methoxynaphthalen-2-yl)oxypropanamide
CID 8949228
2-(4-carbamothioylphenoxy)-N-(2-methoxyethyl)propanamide
CID 43116881
2-[[(3R)-3-amino-2,3-dihydro-1-benzofuran-6-yl]oxy]ethanol
CID 130038415
2-[3-[(cyclopropylamino)methyl]phenoxy]-N-(2-methoxyethyl)propanamide
CID 43278513
2-[4-(2-hydroxypropyl)phenoxy]-N-(2-methoxyethyl)propanamide
CID 115495985
2-(3-hydroxy-5-methylphenoxy)-N-(2-methoxyethyl)propanamide
CID 107680229
2-[4-(2-amino-2-sulfanylideneethyl)phenoxy]-N-(2-methoxyethyl)propanamide
CID 43116983
2-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methoxypropyl)propanamide
CID 107684834

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]-N-(2-methoxyethyl)propanamide (CID 63094789) is 2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)Oc1ccc2c(c1)OCC2N.
What is the InChIKey of 2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]-N-(2-methoxyethyl)propanamide?
The InChIKey is PDZHBKJDQXHHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9(14(17)16-5-6-18-2)20-10-3-4-11-12(15)8-19-13(11)7-10/h3-4,7,9,12H,5-6,8,15H2,1-2H3,(H,16,17).
What are the key properties of 2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]-N-(2-methoxyethyl)propanamide?
2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]-N-(2-methoxyethyl)propanamide has a molecular weight of 280.32 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 63094789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).