N-[2-(2-hydroxyethyl)-4-methylpentyl]-1-benzofuran-2-carboxamide

C17H23NO3 — CID 111662507

IUPACN-[2-(2-hydroxyethyl)-4-methylpentyl]-1-benzofuran-2-carboxamide
SMILESCC(C)CC(CCO)CNC(=O)c1cc2ccccc2o1
InChIInChI=1S/C17H23NO3/c1-12(2)9-13(7-8-19)11-18-17(20)16-10-14-5-3-4-6-15(14)21-16/h3-6,10,12-13,19H,7-9,11H2,1-2H3,(H,18,20)
InChIKeyOUJQWFHKJVVXAZ-UHFFFAOYSA-N
MW289.37 g/mol
LogP3.21
Rot. Bonds7

About N-[2-(2-hydroxyethyl)-4-methylpentyl]-1-benzofuran-2-carboxamide

N-[2-(2-hydroxyethyl)-4-methylpentyl]-1-benzofuran-2-carboxamide (PubChem CID 111662507) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)-4-methylpentyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)-4-methylpentyl]-1-benzofuran-2-carboxamide
PubChem CID111662507
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC NameN-[2-(2-hydroxyethyl)-4-methylpentyl]-1-benzofuran-2-carboxamide
SMILESCC(C)CC(CCO)CNC(=O)c1cc2ccccc2o1
InChIInChI=1S/C17H23NO3/c1-12(2)9-13(7-8-19)11-18-17(20)16-10-14-5-3-4-6-15(14)21-16/h3-6,10,12-13,19H,7-9,11H2,1-2H3,(H,18,20)
InChIKeyOUJQWFHKJVVXAZ-UHFFFAOYSA-N
XLogP3.21
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1-benzofuran-2-carboxamide
CID 111662426
N-(2-aminopropyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 69484360
N-(2-chloropropyl)-1-benzofuran-2-carboxamide
CID 114296217
N-(4-amino-2-methylbutyl)-1-benzofuran-2-carboxamide
CID 66089049
N-(4-bromo-2-methylbutyl)-1-benzofuran-2-carboxamide
CID 113276116
N-[(2R)-2-phenylpropyl]-1-benzofuran-2-carboxamide
CID 9302248
N-[(2R)-2-amino-3-methylbutyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 69484472
N-(1-hydroxy-4-methylpentan-3-yl)-1-benzofuran-2-carboxamide
CID 103751093
N-[(2R)-2-(ethylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 120654614
N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111662609
N-[(3S)-5-hydroxy-3-phenylpentyl]-1-benzofuran-2-carboxamide
CID 99872827
N-[2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide
CID 62659751

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)-4-methylpentyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(2-hydroxyethyl)-4-methylpentyl]-1-benzofuran-2-carboxamide (CID 111662507) is N-[2-(2-hydroxyethyl)-4-methylpentyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)-4-methylpentyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)-4-methylpentyl]-1-benzofuran-2-carboxamide is CC(C)CC(CCO)CNC(=O)c1cc2ccccc2o1.
What is the InChIKey of N-[2-(2-hydroxyethyl)-4-methylpentyl]-1-benzofuran-2-carboxamide?
The InChIKey is OUJQWFHKJVVXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-12(2)9-13(7-8-19)11-18-17(20)16-10-14-5-3-4-6-15(14)21-16/h3-6,10,12-13,19H,7-9,11H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(2-hydroxyethyl)-4-methylpentyl]-1-benzofuran-2-carboxamide?
N-[2-(2-hydroxyethyl)-4-methylpentyl]-1-benzofuran-2-carboxamide has a molecular weight of 289.37 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)-4-methylpentyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 111662507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).