2-[4-(hydroxymethyl)phenyl]-N-(2-methylpropyl)-1-benzofuran-3-carboxamide

C20H21NO3 — CID 141421776

IUPAC2-[4-(hydroxymethyl)phenyl]-N-(2-methylpropyl)-1-benzofuran-3-carboxamide
SMILESCC(C)CNC(=O)c1c(-c2ccc(CO)cc2)oc2ccccc12
InChIInChI=1S/C20H21NO3/c1-13(2)11-21-20(23)18-16-5-3-4-6-17(16)24-19(18)15-9-7-14(12-22)8-10-15/h3-10,13,22H,11-12H2,1-2H3,(H,21,23)
InChIKeySRUGBEGANIDRMH-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.98
Rot. Bonds5

About 2-[4-(hydroxymethyl)phenyl]-N-(2-methylpropyl)-1-benzofuran-3-carboxamide

2-[4-(hydroxymethyl)phenyl]-N-(2-methylpropyl)-1-benzofuran-3-carboxamide (PubChem CID 141421776) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)phenyl]-N-(2-methylpropyl)-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)phenyl]-N-(2-methylpropyl)-1-benzofuran-3-carboxamide
PubChem CID141421776
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name2-[4-(hydroxymethyl)phenyl]-N-(2-methylpropyl)-1-benzofuran-3-carboxamide
SMILESCC(C)CNC(=O)c1c(-c2ccc(CO)cc2)oc2ccccc12
InChIInChI=1S/C20H21NO3/c1-13(2)11-21-20(23)18-16-5-3-4-6-17(16)24-19(18)15-9-7-14(12-22)8-10-15/h3-10,13,22H,11-12H2,1-2H3,(H,21,23)
InChIKeySRUGBEGANIDRMH-UHFFFAOYSA-N
XLogP3.98
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)phenyl]-N-(2-methylpropyl)-1-benzofuran-3-carboxamide?
The IUPAC name of 2-[4-(hydroxymethyl)phenyl]-N-(2-methylpropyl)-1-benzofuran-3-carboxamide (CID 141421776) is 2-[4-(hydroxymethyl)phenyl]-N-(2-methylpropyl)-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-[4-(hydroxymethyl)phenyl]-N-(2-methylpropyl)-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-[4-(hydroxymethyl)phenyl]-N-(2-methylpropyl)-1-benzofuran-3-carboxamide is CC(C)CNC(=O)c1c(-c2ccc(CO)cc2)oc2ccccc12.
What is the InChIKey of 2-[4-(hydroxymethyl)phenyl]-N-(2-methylpropyl)-1-benzofuran-3-carboxamide?
The InChIKey is SRUGBEGANIDRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-13(2)11-21-20(23)18-16-5-3-4-6-17(16)24-19(18)15-9-7-14(12-22)8-10-15/h3-10,13,22H,11-12H2,1-2H3,(H,21,23).
What are the key properties of 2-[4-(hydroxymethyl)phenyl]-N-(2-methylpropyl)-1-benzofuran-3-carboxamide?
2-[4-(hydroxymethyl)phenyl]-N-(2-methylpropyl)-1-benzofuran-3-carboxamide has a molecular weight of 323.39 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)phenyl]-N-(2-methylpropyl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 141421776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).