N-(1,3-dihydroxypropan-2-yl)-5-methyl-1-benzofuran-2-carboxamide

C13H15NO4 — CID 65314853

IUPACN-(1,3-dihydroxypropan-2-yl)-5-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)NC(CO)CO)cc2c1
InChIInChI=1S/C13H15NO4/c1-8-2-3-11-9(4-8)5-12(18-11)13(17)14-10(6-15)7-16/h2-5,10,15-16H,6-7H2,1H3,(H,14,17)
InChIKeyKKYHKFZSBAZNQH-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.82
Rot. Bonds4

About N-(1,3-dihydroxypropan-2-yl)-5-methyl-1-benzofuran-2-carboxamide

N-(1,3-dihydroxypropan-2-yl)-5-methyl-1-benzofuran-2-carboxamide (PubChem CID 65314853) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)-5-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypropan-2-yl)-5-methyl-1-benzofuran-2-carboxamide
PubChem CID65314853
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC NameN-(1,3-dihydroxypropan-2-yl)-5-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)NC(CO)CO)cc2c1
InChIInChI=1S/C13H15NO4/c1-8-2-3-11-9(4-8)5-12(18-11)13(17)14-10(6-15)7-16/h2-5,10,15-16H,6-7H2,1H3,(H,14,17)
InChIKeyKKYHKFZSBAZNQH-UHFFFAOYSA-N
XLogP0.82
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-bromo-3-methoxypropan-2-yl)-5-methyl-1-benzofuran-2-carboxamide
CID 106184484
N-(4-amino-1-methoxybutan-2-yl)-5-methyl-1-benzofuran-2-carboxamide
CID 106152091
N-(1-amino-1-sulfanylidenepropan-2-yl)-5-methyl-1-benzofuran-2-carboxamide
CID 55012612
N-(2-aminobutyl)-5-methyl-1-benzofuran-2-carboxamide
CID 63731357
N-(1-amino-4,4-dimethylpentan-3-yl)-5-methyl-1-benzofuran-2-carboxamide
CID 106357184
5-methyl-N-(2-methylpropoxy)-1-benzofuran-2-carboxamide
CID 115409727
N-(2-chloropropyl)-5-methyl-1-benzofuran-2-carboxamide
CID 114296664
N-[(2S,3R)-3-hydroxy-1-oxo-1-(prop-2-ynylamino)butan-2-yl]-5-methyl-1-benzofuran-2-carboxamide
CID 119063541
N-(3-chlorobutyl)-5-methyl-1-benzofuran-2-carboxamide
CID 113272749
1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 15549614
N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1-benzofuran-2-carboxamide
CID 111662426
5-amino-N-(1-hydroxy-3-methylbutan-2-yl)-1-benzofuran-2-carboxamide
CID 79247714

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropan-2-yl)-5-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(1,3-dihydroxypropan-2-yl)-5-methyl-1-benzofuran-2-carboxamide (CID 65314853) is N-(1,3-dihydroxypropan-2-yl)-5-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)-5-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)-5-methyl-1-benzofuran-2-carboxamide is Cc1ccc2oc(C(=O)NC(CO)CO)cc2c1.
What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)-5-methyl-1-benzofuran-2-carboxamide?
The InChIKey is KKYHKFZSBAZNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-8-2-3-11-9(4-8)5-12(18-11)13(17)14-10(6-15)7-16/h2-5,10,15-16H,6-7H2,1H3,(H,14,17).
What are the key properties of N-(1,3-dihydroxypropan-2-yl)-5-methyl-1-benzofuran-2-carboxamide?
N-(1,3-dihydroxypropan-2-yl)-5-methyl-1-benzofuran-2-carboxamide has a molecular weight of 249.27 g/mol, XLogP of 0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxypropan-2-yl)-5-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 65314853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).