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

C14H16N2O3 — CID 72924667

IUPACN-(2-acetamidoethyl)-2-methyl-1-benzofuran-5-carboxamide
SMILESCC(=O)NCCNC(=O)c1ccc2oc(C)cc2c1
InChIInChI=1S/C14H16N2O3/c1-9-7-12-8-11(3-4-13(12)19-9)14(18)16-6-5-15-10(2)17/h3-4,7-8H,5-6H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyRUPSEDSXDABTIQ-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.61
Rot. Bonds4

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

N-(2-acetamidoethyl)-2-methyl-1-benzofuran-5-carboxamide (PubChem CID 72924667) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-methyl-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-methyl-1-benzofuran-5-carboxamide
PubChem CID72924667
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN-(2-acetamidoethyl)-2-methyl-1-benzofuran-5-carboxamide
SMILESCC(=O)NCCNC(=O)c1ccc2oc(C)cc2c1
InChIInChI=1S/C14H16N2O3/c1-9-7-12-8-11(3-4-13(12)19-9)14(18)16-6-5-15-10(2)17/h3-4,7-8H,5-6H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyRUPSEDSXDABTIQ-UHFFFAOYSA-N
XLogP1.61
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-methyl-1-benzofuran-5-carboxamide
CID 16673325
N-[2-(dimethylamino)-2-(2-fluorophenyl)ethyl]-2-methyl-1-benzofuran-5-carboxamide
CID 16673326
N-(2-acetamidoethyl)-4-methylbenzamide
CID 4186573
N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-methyl-1-benzofuran-5-carboxamide
CID 51498217
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-methyl-1-benzofuran-5-carboxamide
CID 72937054
N-(2-acetamidoethyl)-4-methoxybenzamide
CID 30596623
N-[1-(dimethylamino)propan-2-yl]-2-methyl-1-benzofuran-5-carboxamide
CID 74236489
2-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1-benzofuran-5-carboxamide
CID 46964324
2-methyl-N-[(3S)-1-oxaspiro[4.4]nonan-3-yl]-1-benzofuran-5-carboxamide
CID 97145621
N-(2-acetamidoethyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766529
2-methyl-N-[[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-benzofuran-5-carboxamide
CID 72871755
N-(2-acetamidoethyl)-3-aminobenzamide;hydrochloride
CID 119684027

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-methyl-1-benzofuran-5-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-2-methyl-1-benzofuran-5-carboxamide (CID 72924667) is N-(2-acetamidoethyl)-2-methyl-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-methyl-1-benzofuran-5-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-methyl-1-benzofuran-5-carboxamide is CC(=O)NCCNC(=O)c1ccc2oc(C)cc2c1.
What is the InChIKey of N-(2-acetamidoethyl)-2-methyl-1-benzofuran-5-carboxamide?
The InChIKey is RUPSEDSXDABTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9-7-12-8-11(3-4-13(12)19-9)14(18)16-6-5-15-10(2)17/h3-4,7-8H,5-6H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-(2-acetamidoethyl)-2-methyl-1-benzofuran-5-carboxamide?
N-(2-acetamidoethyl)-2-methyl-1-benzofuran-5-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-methyl-1-benzofuran-5-carboxamide is sourced from PubChem (CID 72924667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).