N-[1-(hydroxymethyl)cyclobutyl]-2,3-dihydro-1-benzofuran-5-carboxamide

C14H17NO3 — CID 113344817

IUPACN-[1-(hydroxymethyl)cyclobutyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C(NC1(CO)CCC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H17NO3/c16-9-14(5-1-6-14)15-13(17)11-2-3-12-10(8-11)4-7-18-12/h2-3,8,16H,1,4-7,9H2,(H,15,17)
InChIKeyHXUSYLJMXATWAE-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.27
Rot. Bonds3

About N-[1-(hydroxymethyl)cyclobutyl]-2,3-dihydro-1-benzofuran-5-carboxamide

N-[1-(hydroxymethyl)cyclobutyl]-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 113344817) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclobutyl]-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclobutyl]-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID113344817
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC NameN-[1-(hydroxymethyl)cyclobutyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C(NC1(CO)CCC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H17NO3/c16-9-14(5-1-6-14)15-13(17)11-2-3-12-10(8-11)4-7-18-12/h2-3,8,16H,1,4-7,9H2,(H,15,17)
InChIKeyHXUSYLJMXATWAE-UHFFFAOYSA-N
XLogP1.27
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydro-1-benzofuran-5-carbonylamino)oxane-4-carboxylic acid
CID 115291715
N-[1-(hydroxymethyl)cyclopentyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 62518437
N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 65312218
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
3-(2,3-dihydro-1-benzofuran-5-carbonylamino)-2-hydroxypropanoic acid
CID 66166416
4-(2,3-dihydro-1-benzofuran-5-carbonylamino)-2-methylbutanoic acid
CID 80539298
N-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 71942700
2-(2,3-dihydro-1-benzofuran-5-carbonylamino)-2-methylpropanoic acid
CID 61261538
N-[1-(hydroxymethyl)cyclopentyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103863291
[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]cyclopentyl]methanol
CID 65445774
N-(3-amino-2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 113295192
N-(2-methylprop-2-enyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 114618555

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclobutyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclobutyl]-2,3-dihydro-1-benzofuran-5-carboxamide (CID 113344817) is N-[1-(hydroxymethyl)cyclobutyl]-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclobutyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclobutyl]-2,3-dihydro-1-benzofuran-5-carboxamide is O=C(NC1(CO)CCC1)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[1-(hydroxymethyl)cyclobutyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is HXUSYLJMXATWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c16-9-14(5-1-6-14)15-13(17)11-2-3-12-10(8-11)4-7-18-12/h2-3,8,16H,1,4-7,9H2,(H,15,17).
What are the key properties of N-[1-(hydroxymethyl)cyclobutyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
N-[1-(hydroxymethyl)cyclobutyl]-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 247.29 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclobutyl]-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 113344817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).