5-methyl-N-(2-methylpropoxy)-1-benzofuran-2-carboxamide

C14H17NO3 — CID 115409727

IUPAC5-methyl-N-(2-methylpropoxy)-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)NOCC(C)C)cc2c1
InChIInChI=1S/C14H17NO3/c1-9(2)8-17-15-14(16)13-7-11-6-10(3)4-5-12(11)18-13/h4-7,9H,8H2,1-3H3,(H,15,16)
InChIKeyDCFBKNNKSXTIFU-UHFFFAOYSA-N
MW247.29 g/mol
LogP3.06
Rot. Bonds4

About 5-methyl-N-(2-methylpropoxy)-1-benzofuran-2-carboxamide

5-methyl-N-(2-methylpropoxy)-1-benzofuran-2-carboxamide (PubChem CID 115409727) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 5-methyl-N-(2-methylpropoxy)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-methylpropoxy)-1-benzofuran-2-carboxamide
PubChem CID115409727
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name5-methyl-N-(2-methylpropoxy)-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)NOCC(C)C)cc2c1
InChIInChI=1S/C14H17NO3/c1-9(2)8-17-15-14(16)13-7-11-6-10(3)4-5-12(11)18-13/h4-7,9H,8H2,1-3H3,(H,15,16)
InChIKeyDCFBKNNKSXTIFU-UHFFFAOYSA-N
XLogP3.06
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-methyl-N-(2-methylpropoxy)-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloropropyl)-5-methyl-1-benzofuran-2-carboxamide
CID 114296664
N-(2-hydroxy-4-methylpentyl)-5-methyl-1-benzofuran-2-carboxamide
CID 103771495
N-(1,3-dihydroxypropan-2-yl)-5-methyl-1-benzofuran-2-carboxamide
CID 65314853
1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 15549614
N-(1-amino-1-sulfanylidenepropan-2-yl)-5-methyl-1-benzofuran-2-carboxamide
CID 55012612
N-(3-chlorobutyl)-5-methyl-1-benzofuran-2-carboxamide
CID 113272749
N-(1-bromo-3-methoxypropan-2-yl)-5-methyl-1-benzofuran-2-carboxamide
CID 106184484
N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1-benzofuran-2-carboxamide
CID 111662426
N-(2-aminobutyl)-5-methyl-1-benzofuran-2-carboxamide
CID 63731357
N-(4-amino-1-methoxybutan-2-yl)-5-methyl-1-benzofuran-2-carboxamide
CID 106152091
N-(2-hydroxypropyl)-N,5-dimethyl-1-benzofuran-2-carboxamide
CID 62335366
ethyl 3-methyl-2-(5-methyl-1-benzofuran-2-yl)butanoate
CID 114732654

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methylpropoxy)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-methyl-N-(2-methylpropoxy)-1-benzofuran-2-carboxamide (CID 115409727) is 5-methyl-N-(2-methylpropoxy)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-methylpropoxy)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-methyl-N-(2-methylpropoxy)-1-benzofuran-2-carboxamide is Cc1ccc2oc(C(=O)NOCC(C)C)cc2c1.
What is the InChIKey of 5-methyl-N-(2-methylpropoxy)-1-benzofuran-2-carboxamide?
The InChIKey is DCFBKNNKSXTIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-9(2)8-17-15-14(16)13-7-11-6-10(3)4-5-12(11)18-13/h4-7,9H,8H2,1-3H3,(H,15,16).
What are the key properties of 5-methyl-N-(2-methylpropoxy)-1-benzofuran-2-carboxamide?
5-methyl-N-(2-methylpropoxy)-1-benzofuran-2-carboxamide has a molecular weight of 247.29 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methylpropoxy)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 115409727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).