2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[4-(2-hydroxyethoxy)-3-methylphenyl]acetamide

C21H23NO4 — CID 75519846

IUPAC2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[4-(2-hydroxyethoxy)-3-methylphenyl]acetamide
SMILESCc1cc(NC(=O)Cc2coc3c(C)c(C)ccc23)ccc1OCCO
InChIInChI=1S/C21H23NO4/c1-13-4-6-18-16(12-26-21(18)15(13)3)11-20(24)22-17-5-7-19(14(2)10-17)25-9-8-23/h4-7,10,12,23H,8-9,11H2,1-3H3,(H,22,24)
InChIKeyUUXHENDMHDQJKS-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.91
Rot. Bonds6

About 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[4-(2-hydroxyethoxy)-3-methylphenyl]acetamide

2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[4-(2-hydroxyethoxy)-3-methylphenyl]acetamide (PubChem CID 75519846) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[4-(2-hydroxyethoxy)-3-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[4-(2-hydroxyethoxy)-3-methylphenyl]acetamide
PubChem CID75519846
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[4-(2-hydroxyethoxy)-3-methylphenyl]acetamide
SMILESCc1cc(NC(=O)Cc2coc3c(C)c(C)ccc23)ccc1OCCO
InChIInChI=1S/C21H23NO4/c1-13-4-6-18-16(12-26-21(18)15(13)3)11-20(24)22-17-5-7-19(14(2)10-17)25-9-8-23/h4-7,10,12,23H,8-9,11H2,1-3H3,(H,22,24)
InChIKeyUUXHENDMHDQJKS-UHFFFAOYSA-N
XLogP3.91
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide
CID 9106228
N-[4-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 17441796
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 17415366
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-pyridin-2-ylacetamide
CID 23973660
N'-acetyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetohydrazide
CID 17435910
N-tert-butyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 8779926
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
CID 1285216
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2-fluoro-5-methylphenyl)acetamide
CID 42989351
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
CID 7617651
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 55797417
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 8935369
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide
CID 16547774

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[4-(2-hydroxyethoxy)-3-methylphenyl]acetamide?
The IUPAC name of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[4-(2-hydroxyethoxy)-3-methylphenyl]acetamide (CID 75519846) is 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[4-(2-hydroxyethoxy)-3-methylphenyl]acetamide.
What is the SMILES notation for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[4-(2-hydroxyethoxy)-3-methylphenyl]acetamide?
The canonical SMILES for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[4-(2-hydroxyethoxy)-3-methylphenyl]acetamide is Cc1cc(NC(=O)Cc2coc3c(C)c(C)ccc23)ccc1OCCO.
What is the InChIKey of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[4-(2-hydroxyethoxy)-3-methylphenyl]acetamide?
The InChIKey is UUXHENDMHDQJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-13-4-6-18-16(12-26-21(18)15(13)3)11-20(24)22-17-5-7-19(14(2)10-17)25-9-8-23/h4-7,10,12,23H,8-9,11H2,1-3H3,(H,22,24).
What are the key properties of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[4-(2-hydroxyethoxy)-3-methylphenyl]acetamide?
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[4-(2-hydroxyethoxy)-3-methylphenyl]acetamide has a molecular weight of 353.42 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[4-(2-hydroxyethoxy)-3-methylphenyl]acetamide is sourced from PubChem (CID 75519846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).