N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-ethoxy-3-methylbenzamide

C20H23NO3 — CID 86950625

IUPACN-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-ethoxy-3-methylbenzamide
SMILESCCOc1ccc(C(=O)NCCc2ccc3c(c2)CCO3)cc1C
InChIInChI=1S/C20H23NO3/c1-3-23-18-7-5-17(12-14(18)2)20(22)21-10-8-15-4-6-19-16(13-15)9-11-24-19/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,22)
InChIKeyABZYHSSSCJWIQW-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.30
Rot. Bonds6

About N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-ethoxy-3-methylbenzamide

N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-ethoxy-3-methylbenzamide (PubChem CID 86950625) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-ethoxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-ethoxy-3-methylbenzamide
PubChem CID86950625
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC NameN-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-ethoxy-3-methylbenzamide
SMILESCCOc1ccc(C(=O)NCCc2ccc3c(c2)CCO3)cc1C
InChIInChI=1S/C20H23NO3/c1-3-23-18-7-5-17(12-14(18)2)20(22)21-10-8-15-4-6-19-16(13-15)9-11-24-19/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,22)
InChIKeyABZYHSSSCJWIQW-UHFFFAOYSA-N
XLogP3.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,5-dimethoxybenzamide
CID 110792373
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 110792404
N-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-3,4-diethoxybenzamide
CID 31608138
methyl 4-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]ethyl]benzoate
CID 51075520
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(hydroxymethyl)butanamide
CID 115186712
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 55575275
N-(2-acetamidoethyl)-4-ethoxy-3-methylbenzamide
CID 110762173
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-6-fluoro-2,3-dimethoxybenzamide
CID 119045460
(2S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-hydroxypropanamide
CID 99829015
[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate
CID 16598816
N-[2-[[N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]-3-methoxybenzamide
CID 111562974
N-[2-(4-ethoxy-3-methylphenyl)ethyl]acetamide
CID 110788838

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-ethoxy-3-methylbenzamide?
The IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-ethoxy-3-methylbenzamide (CID 86950625) is N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-ethoxy-3-methylbenzamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-ethoxy-3-methylbenzamide?
The canonical SMILES for N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-ethoxy-3-methylbenzamide is CCOc1ccc(C(=O)NCCc2ccc3c(c2)CCO3)cc1C.
What is the InChIKey of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-ethoxy-3-methylbenzamide?
The InChIKey is ABZYHSSSCJWIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-3-23-18-7-5-17(12-14(18)2)20(22)21-10-8-15-4-6-19-16(13-15)9-11-24-19/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,22).
What are the key properties of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-ethoxy-3-methylbenzamide?
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-ethoxy-3-methylbenzamide has a molecular weight of 325.41 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-ethoxy-3-methylbenzamide is sourced from PubChem (CID 86950625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).