N-(2-methylpropyl)-1-benzofuran-5-carboxamide

C13H15NO2 — CID 171399931

IUPACN-(2-methylpropyl)-1-benzofuran-5-carboxamide
SMILESCC(C)CNC(=O)c1ccc2occc2c1
InChIInChI=1S/C13H15NO2/c1-9(2)8-14-13(15)11-3-4-12-10(7-11)5-6-16-12/h3-7,9H,8H2,1-2H3,(H,14,15)
InChIKeyWONIHMRRDJGFQG-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.82
Rot. Bonds3

About N-(2-methylpropyl)-1-benzofuran-5-carboxamide

N-(2-methylpropyl)-1-benzofuran-5-carboxamide (PubChem CID 171399931) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is N-(2-methylpropyl)-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-1-benzofuran-5-carboxamide
PubChem CID171399931
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC NameN-(2-methylpropyl)-1-benzofuran-5-carboxamide
SMILESCC(C)CNC(=O)c1ccc2occc2c1
InChIInChI=1S/C13H15NO2/c1-9(2)8-14-13(15)11-3-4-12-10(7-11)5-6-16-12/h3-7,9H,8H2,1-2H3,(H,14,15)
InChIKeyWONIHMRRDJGFQG-UHFFFAOYSA-N
XLogP2.82
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylpropyl)furo[2,3-b]pyridine-5-carboxamide
CID 176825419
N-[(2R)-3-(1-benzofuran-5-yl)-1-(2-methylpropylamino)-1-oxopropan-2-yl]-1-benzofuran-5-carboxamide;4-methyl-2-propan-2-yl-1,3-thiazole
CID 162192619
1-(1-benzofuran-5-yl)-3-fluoro-2-(methylamino)propan-1-one
CID 169069289
N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 82171853
3-(furan-2-yl)-4-methyl-N-(2-methylpropyl)benzamide
CID 168525107
1-(1-benzofuran-5-yl)-4,4-dichloro-2-(methylamino)butan-1-one
CID 166892597
N-(2-methylpropyl)-4-(4-phenylphenyl)benzamide
CID 145125410
1-(1-benzofuran-5-yl)-4,4,4-trichloro-2-(methylamino)butan-1-one
CID 166892596
methyl 2-[5-(1-benzofuran-5-carbonyloxy)hexan-2-yl]-1-benzofuran-5-carboxylate
CID 91428482
3-methyl-N-(2-methylpropyl)benzamide
CID 835315
3-amino-4-chloro-N-(2-methylpropyl)benzamide
CID 838194
3-amino-4-bromo-N-(2-methylpropyl)benzamide
CID 39369897

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-1-benzofuran-5-carboxamide?
The IUPAC name of N-(2-methylpropyl)-1-benzofuran-5-carboxamide (CID 171399931) is N-(2-methylpropyl)-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-1-benzofuran-5-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-1-benzofuran-5-carboxamide is CC(C)CNC(=O)c1ccc2occc2c1.
What is the InChIKey of N-(2-methylpropyl)-1-benzofuran-5-carboxamide?
The InChIKey is WONIHMRRDJGFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-9(2)8-14-13(15)11-3-4-12-10(7-11)5-6-16-12/h3-7,9H,8H2,1-2H3,(H,14,15).
What are the key properties of N-(2-methylpropyl)-1-benzofuran-5-carboxamide?
N-(2-methylpropyl)-1-benzofuran-5-carboxamide has a molecular weight of 217.27 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-1-benzofuran-5-carboxamide is sourced from PubChem (CID 171399931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).