N-(2-methoxyethyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide

C16H17NO3 — CID 3667337

IUPACN-(2-methoxyethyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide
SMILESCOCCNC(=O)C1Cc2c(ccc3ccccc23)O1
InChIInChI=1S/C16H17NO3/c1-19-9-8-17-16(18)15-10-13-12-5-3-2-4-11(12)6-7-14(13)20-15/h2-7,15H,8-10H2,1H3,(H,17,18)
InChIKeyLCJUALUUASMWGH-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.91
Rot. Bonds4

About N-(2-methoxyethyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide

N-(2-methoxyethyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide (PubChem CID 3667337) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide
PubChem CID3667337
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC NameN-(2-methoxyethyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide
SMILESCOCCNC(=O)C1Cc2c(ccc3ccccc23)O1
InChIInChI=1S/C16H17NO3/c1-19-9-8-17-16(18)15-10-13-12-5-3-2-4-11(12)6-7-14(13)20-15/h2-7,15H,8-10H2,1H3,(H,17,18)
InChIKeyLCJUALUUASMWGH-UHFFFAOYSA-N
XLogP1.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide (CID 3667337) is N-(2-methoxyethyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide is COCCNC(=O)C1Cc2c(ccc3ccccc23)O1.
What is the InChIKey of N-(2-methoxyethyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide?
The InChIKey is LCJUALUUASMWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-19-9-8-17-16(18)15-10-13-12-5-3-2-4-11(12)6-7-14(13)20-15/h2-7,15H,8-10H2,1H3,(H,17,18).
What are the key properties of N-(2-methoxyethyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide?
N-(2-methoxyethyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide is sourced from PubChem (CID 3667337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).