3-methyl-4-oxo-N-(4-phenylbutan-2-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide

C20H23NO3 — CID 20885993

IUPAC3-methyl-4-oxo-N-(4-phenylbutan-2-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC(C)CCc2ccccc2)oc2c1C(=O)CCC2
InChIInChI=1S/C20H23NO3/c1-13(11-12-15-7-4-3-5-8-15)21-20(23)19-14(2)18-16(22)9-6-10-17(18)24-19/h3-5,7-8,13H,6,9-12H2,1-2H3,(H,21,23)
InChIKeySYJWBLWJAVEGQU-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.86
Rot. Bonds5

About 3-methyl-4-oxo-N-(4-phenylbutan-2-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide

3-methyl-4-oxo-N-(4-phenylbutan-2-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide (PubChem CID 20885993) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-methyl-4-oxo-N-(4-phenylbutan-2-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-4-oxo-N-(4-phenylbutan-2-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
PubChem CID20885993
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name3-methyl-4-oxo-N-(4-phenylbutan-2-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC(C)CCc2ccccc2)oc2c1C(=O)CCC2
InChIInChI=1S/C20H23NO3/c1-13(11-12-15-7-4-3-5-8-15)21-20(23)19-14(2)18-16(22)9-6-10-17(18)24-19/h3-5,7-8,13H,6,9-12H2,1-2H3,(H,21,23)
InChIKeySYJWBLWJAVEGQU-UHFFFAOYSA-N
XLogP3.86
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxo-N-(4-phenylbutan-2-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-4-oxo-N-(4-phenylbutan-2-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide (CID 20885993) is 3-methyl-4-oxo-N-(4-phenylbutan-2-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-4-oxo-N-(4-phenylbutan-2-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-4-oxo-N-(4-phenylbutan-2-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide is Cc1c(C(=O)NC(C)CCc2ccccc2)oc2c1C(=O)CCC2.
What is the InChIKey of 3-methyl-4-oxo-N-(4-phenylbutan-2-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
The InChIKey is SYJWBLWJAVEGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-13(11-12-15-7-4-3-5-8-15)21-20(23)19-14(2)18-16(22)9-6-10-17(18)24-19/h3-5,7-8,13H,6,9-12H2,1-2H3,(H,21,23).
What are the key properties of 3-methyl-4-oxo-N-(4-phenylbutan-2-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
3-methyl-4-oxo-N-(4-phenylbutan-2-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxo-N-(4-phenylbutan-2-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide is sourced from PubChem (CID 20885993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).