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

C16H24N2O3 — CID 63097450

IUPACN-butyl-2-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]acetamide
SMILESCCCCNC(=O)COc1ccc2c(c1)OCC2NCC
InChIInChI=1S/C16H24N2O3/c1-3-5-8-18-16(19)11-20-12-6-7-13-14(17-4-2)10-21-15(13)9-12/h6-7,9,14,17H,3-5,8,10-11H2,1-2H3,(H,18,19)
InChIKeyNWHNLKKAZYLPHB-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.02
Rot. Bonds8

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

N-butyl-2-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]acetamide (PubChem CID 63097450) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-butyl-2-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]acetamide.

Molecular Properties

Compound NameN-butyl-2-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]acetamide
PubChem CID63097450
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-butyl-2-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]acetamide
SMILESCCCCNC(=O)COc1ccc2c(c1)OCC2NCC
InChIInChI=1S/C16H24N2O3/c1-3-5-8-18-16(19)11-20-12-6-7-13-14(17-4-2)10-21-15(13)9-12/h6-7,9,14,17H,3-5,8,10-11H2,1-2H3,(H,18,19)
InChIKeyNWHNLKKAZYLPHB-UHFFFAOYSA-N
XLogP2.02
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]acetamide?
The IUPAC name of N-butyl-2-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]acetamide (CID 63097450) is N-butyl-2-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]acetamide.
What is the SMILES notation for N-butyl-2-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]acetamide?
The canonical SMILES for N-butyl-2-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]acetamide is CCCCNC(=O)COc1ccc2c(c1)OCC2NCC.
What is the InChIKey of N-butyl-2-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]acetamide?
The InChIKey is NWHNLKKAZYLPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-5-8-18-16(19)11-20-12-6-7-13-14(17-4-2)10-21-15(13)9-12/h6-7,9,14,17H,3-5,8,10-11H2,1-2H3,(H,18,19).
What are the key properties of N-butyl-2-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]acetamide?
N-butyl-2-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]acetamide has a molecular weight of 292.38 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]acetamide is sourced from PubChem (CID 63097450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).