N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-ethoxy-3-methylbenzamide

C19H21NO3 — CID 86938103

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-ethoxy-3-methylbenzamide
SMILESCCOc1ccc(C(=O)NCC2Cc3ccccc3O2)cc1C
InChIInChI=1S/C19H21NO3/c1-3-22-17-9-8-15(10-13(17)2)19(21)20-12-16-11-14-6-4-5-7-18(14)23-16/h4-10,16H,3,11-12H2,1-2H3,(H,20,21)
InChIKeyIZYPGMHIHVIXNY-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.13
Rot. Bonds5

About N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-ethoxy-3-methylbenzamide

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-ethoxy-3-methylbenzamide (PubChem CID 86938103) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-ethoxy-3-methylbenzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-ethoxy-3-methylbenzamide
PubChem CID86938103
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-ethoxy-3-methylbenzamide
SMILESCCOc1ccc(C(=O)NCC2Cc3ccccc3O2)cc1C
InChIInChI=1S/C19H21NO3/c1-3-22-17-9-8-15(10-13(17)2)19(21)20-12-16-11-14-6-4-5-7-18(14)23-16/h4-10,16H,3,11-12H2,1-2H3,(H,20,21)
InChIKeyIZYPGMHIHVIXNY-UHFFFAOYSA-N
XLogP3.13
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethoxy-3-methylbenzamide
CID 86937944
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-hydroxy-4-methylbenzamide
CID 62232665
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 39237930
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,4-diethoxybenzamide
CID 8872749
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methyl-3-methylsulfonylbenzamide
CID 51083815
3,5-dibromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 107980334
3-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylbenzamide
CID 104852428
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide
CID 47026492
3-chloro-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-ethoxybenzamide
CID 100583600
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-ethoxy-4-(2-methylpropoxy)benzamide
CID 24536975
ethyl 2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-2-oxoacetate
CID 62234991
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 37298471

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-ethoxy-3-methylbenzamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-ethoxy-3-methylbenzamide (CID 86938103) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-ethoxy-3-methylbenzamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-ethoxy-3-methylbenzamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-ethoxy-3-methylbenzamide is CCOc1ccc(C(=O)NCC2Cc3ccccc3O2)cc1C.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-ethoxy-3-methylbenzamide?
The InChIKey is IZYPGMHIHVIXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-3-22-17-9-8-15(10-13(17)2)19(21)20-12-16-11-14-6-4-5-7-18(14)23-16/h4-10,16H,3,11-12H2,1-2H3,(H,20,21).
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-ethoxy-3-methylbenzamide?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-ethoxy-3-methylbenzamide has a molecular weight of 311.38 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-ethoxy-3-methylbenzamide is sourced from PubChem (CID 86938103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).