N-[2-(1-benzofuran-3-yl)ethyl]-2-hydroxypropanamide

C13H15NO3 — CID 115140987

IUPACN-[2-(1-benzofuran-3-yl)ethyl]-2-hydroxypropanamide
SMILESCC(O)C(=O)NCCc1coc2ccccc12
InChIInChI=1S/C13H15NO3/c1-9(15)13(16)14-7-6-10-8-17-12-5-3-2-4-11(10)12/h2-5,8-9,15H,6-7H2,1H3,(H,14,16)
InChIKeyVHJJQIRFZGQIBX-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.47
Rot. Bonds4

About N-[2-(1-benzofuran-3-yl)ethyl]-2-hydroxypropanamide

N-[2-(1-benzofuran-3-yl)ethyl]-2-hydroxypropanamide (PubChem CID 115140987) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-[2-(1-benzofuran-3-yl)ethyl]-2-hydroxypropanamide.

Molecular Properties

Compound NameN-[2-(1-benzofuran-3-yl)ethyl]-2-hydroxypropanamide
PubChem CID115140987
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC NameN-[2-(1-benzofuran-3-yl)ethyl]-2-hydroxypropanamide
SMILESCC(O)C(=O)NCCc1coc2ccccc12
InChIInChI=1S/C13H15NO3/c1-9(15)13(16)14-7-6-10-8-17-12-5-3-2-4-11(10)12/h2-5,8-9,15H,6-7H2,1H3,(H,14,16)
InChIKeyVHJJQIRFZGQIBX-UHFFFAOYSA-N
XLogP1.47
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-benzofuran-3-yl)ethyl]-2-(hydroxymethyl)butanamide
CID 115186726
4-amino-N-[2-(1-benzofuran-3-yl)ethyl]-3-methylbutanamide
CID 115156463
2-hydroxy-N-(2-naphthalen-1-ylethyl)propanamide
CID 115140997
ethyl 2-[2-(1-benzofuran-3-yl)ethylamino]-2-oxoacetate
CID 115142072
2-[2-(1-benzofuran-3-yl)ethylamino]acetic acid
CID 83641419
1-(1-benzofuran-3-yl)-3-methylbutan-2-one
CID 164836556
N-[2-(1-benzofuran-3-yl)ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
CID 115182419
N-[2-(1-benzofuran-3-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 115206607
N-[2-(1-benzofuran-3-yl)ethyl]pyridine-3-carboxamide
CID 110872276
4-(1-benzofuran-3-ylmethylamino)-2-methyl-4-oxobutanoic acid
CID 115165103
2-(1-benzofuran-3-ylmethylcarbamoyl)butanoic acid
CID 115185994
N-[2-(1-benzofuran-3-yl)ethyl]-N'-[(3-methoxyphenyl)methyl]propanediamide
CID 174143781

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzofuran-3-yl)ethyl]-2-hydroxypropanamide?
The IUPAC name of N-[2-(1-benzofuran-3-yl)ethyl]-2-hydroxypropanamide (CID 115140987) is N-[2-(1-benzofuran-3-yl)ethyl]-2-hydroxypropanamide.
What is the SMILES notation for N-[2-(1-benzofuran-3-yl)ethyl]-2-hydroxypropanamide?
The canonical SMILES for N-[2-(1-benzofuran-3-yl)ethyl]-2-hydroxypropanamide is CC(O)C(=O)NCCc1coc2ccccc12.
What is the InChIKey of N-[2-(1-benzofuran-3-yl)ethyl]-2-hydroxypropanamide?
The InChIKey is VHJJQIRFZGQIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-9(15)13(16)14-7-6-10-8-17-12-5-3-2-4-11(10)12/h2-5,8-9,15H,6-7H2,1H3,(H,14,16).
What are the key properties of N-[2-(1-benzofuran-3-yl)ethyl]-2-hydroxypropanamide?
N-[2-(1-benzofuran-3-yl)ethyl]-2-hydroxypropanamide has a molecular weight of 233.27 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzofuran-3-yl)ethyl]-2-hydroxypropanamide is sourced from PubChem (CID 115140987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).