N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,5-dimethoxybenzamide

C19H21NO4 — CID 110792373

IUPACN-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCc2ccc3c(c2)CCO3)c1
InChIInChI=1S/C19H21NO4/c1-22-16-10-15(11-17(12-16)23-2)19(21)20-7-5-13-3-4-18-14(9-13)6-8-24-18/h3-4,9-12H,5-8H2,1-2H3,(H,20,21)
InChIKeyWSRUBZJWJZXKKX-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.61
Rot. Bonds6

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

N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,5-dimethoxybenzamide (PubChem CID 110792373) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,5-dimethoxybenzamide
PubChem CID110792373
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC NameN-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCc2ccc3c(c2)CCO3)c1
InChIInChI=1S/C19H21NO4/c1-22-16-10-15(11-17(12-16)23-2)19(21)20-7-5-13-3-4-18-14(9-13)6-8-24-18/h3-4,9-12H,5-8H2,1-2H3,(H,20,21)
InChIKeyWSRUBZJWJZXKKX-UHFFFAOYSA-N
XLogP2.61
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]-3-methoxybenzamide
CID 111562974
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 110792396
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)-2-(dimethylamino)ethyl]-3,5-dimethoxybenzamide
CID 90557936
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-ethoxy-3-methylbenzamide
CID 86950625
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 110792404
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-6-fluoro-2,3-dimethoxybenzamide
CID 119045460
N-[3-(1,3-benzodioxol-5-yl)propyl]-3,5-dimethoxybenzamide
CID 110371217
(2S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-hydroxypropanamide
CID 99829015
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(hydroxymethyl)butanamide
CID 115186712
3,5-dimethoxy-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]benzamide
CID 110788429
2-(1,3-benzodioxol-5-yl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]acetamide
CID 122136652

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,5-dimethoxybenzamide (CID 110792373) is N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCCc2ccc3c(c2)CCO3)c1.
What is the InChIKey of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,5-dimethoxybenzamide?
The InChIKey is WSRUBZJWJZXKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-22-16-10-15(11-17(12-16)23-2)19(21)20-7-5-13-3-4-18-14(9-13)6-8-24-18/h3-4,9-12H,5-8H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,5-dimethoxybenzamide?
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,5-dimethoxybenzamide has a molecular weight of 327.38 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 110792373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).