5-methoxy-3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide

C16H21NO3 — CID 2561213

IUPAC5-methoxy-3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)NCCC(C)C)c(C)c2c1
InChIInChI=1S/C16H21NO3/c1-10(2)7-8-17-16(18)15-11(3)13-9-12(19-4)5-6-14(13)20-15/h5-6,9-10H,7-8H2,1-4H3,(H,17,18)
InChIKeyFYTJXQIQFWPZMS-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.53
Rot. Bonds5

About 5-methoxy-3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide

5-methoxy-3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide (PubChem CID 2561213) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 5-methoxy-3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide
PubChem CID2561213
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name5-methoxy-3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)NCCC(C)C)c(C)c2c1
InChIInChI=1S/C16H21NO3/c1-10(2)7-8-17-16(18)15-11(3)13-9-12(19-4)5-6-14(13)20-15/h5-6,9-10H,7-8H2,1-4H3,(H,17,18)
InChIKeyFYTJXQIQFWPZMS-UHFFFAOYSA-N
XLogP3.53
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-methoxy-3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide (CID 2561213) is 5-methoxy-3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-methoxy-3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-methoxy-3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide is COc1ccc2oc(C(=O)NCCC(C)C)c(C)c2c1.
What is the InChIKey of 5-methoxy-3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide?
The InChIKey is FYTJXQIQFWPZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-10(2)7-8-17-16(18)15-11(3)13-9-12(19-4)5-6-14(13)20-15/h5-6,9-10H,7-8H2,1-4H3,(H,17,18).
What are the key properties of 5-methoxy-3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide?
5-methoxy-3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2561213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).