N-(2-anilino-2-oxoethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide

C18H18N2O3 — CID 86979366

IUPACN-(2-anilino-2-oxoethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCN(CC(=O)Nc1ccccc1)C(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C18H18N2O3/c1-20(12-17(21)19-15-5-3-2-4-6-15)18(22)14-7-8-16-13(11-14)9-10-23-16/h2-8,11H,9-10,12H2,1H3,(H,19,21)
InChIKeyRFUHEXBSLYSWIG-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.33
Rot. Bonds4

About N-(2-anilino-2-oxoethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide

N-(2-anilino-2-oxoethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 86979366) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-(2-anilino-2-oxoethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxoethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID86979366
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-(2-anilino-2-oxoethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCN(CC(=O)Nc1ccccc1)C(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C18H18N2O3/c1-20(12-17(21)19-15-5-3-2-4-6-15)18(22)14-7-8-16-13(11-14)9-10-23-16/h2-8,11H,9-10,12H2,1H3,(H,19,21)
InChIKeyRFUHEXBSLYSWIG-UHFFFAOYSA-N
XLogP2.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-anilino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide
CID 46418355
3-amino-N-(2-anilino-2-oxoethyl)-N-methylbenzamide
CID 60944613
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 17397187
2-anilino-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 116555381
N-(2-anilino-2-oxoethyl)-3-iodo-N-methylbenzamide
CID 55637665
N-(2-aminopropyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 63755933
2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-phenylacetamide
CID 31380025
N-(5-aminopentyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 107206756
N-(2-anilino-2-oxoethyl)-2-bromo-N-methylpyridine-4-carboxamide
CID 103752363
(3S)-N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 41037562
2-[[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 61453131
N-(2-anilino-2-oxoethyl)-N,2,3-trimethyl-1H-indole-5-carboxamide
CID 46823002

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-(2-anilino-2-oxoethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide (CID 86979366) is N-(2-anilino-2-oxoethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-(2-anilino-2-oxoethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-(2-anilino-2-oxoethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide is CN(CC(=O)Nc1ccccc1)C(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of N-(2-anilino-2-oxoethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is RFUHEXBSLYSWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-20(12-17(21)19-15-5-3-2-4-6-15)18(22)14-7-8-16-13(11-14)9-10-23-16/h2-8,11H,9-10,12H2,1H3,(H,19,21).
What are the key properties of N-(2-anilino-2-oxoethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide?
N-(2-anilino-2-oxoethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxoethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 86979366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).