N-[(2,4-dimethoxyphenyl)methyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methylacetamide

C22H25NO4 — CID 27774295

IUPACN-[(2,4-dimethoxyphenyl)methyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methylacetamide
SMILESCOc1ccc(CN(C)C(=O)Cc2coc3c(C)c(C)ccc23)c(OC)c1
InChIInChI=1S/C22H25NO4/c1-14-6-9-19-17(13-27-22(19)15(14)2)10-21(24)23(3)12-16-7-8-18(25-4)11-20(16)26-5/h6-9,11,13H,10,12H2,1-5H3
InChIKeyZABOKVUAHPYLSX-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.27
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)methyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methylacetamide

N-[(2,4-dimethoxyphenyl)methyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methylacetamide (PubChem CID 27774295) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methylacetamide
PubChem CID27774295
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methylacetamide
SMILESCOc1ccc(CN(C)C(=O)Cc2coc3c(C)c(C)ccc23)c(OC)c1
InChIInChI=1S/C22H25NO4/c1-14-6-9-19-17(13-27-22(19)15(14)2)10-21(24)23(3)12-16-7-8-18(25-4)11-20(16)26-5/h6-9,11,13H,10,12H2,1-5H3
InChIKeyZABOKVUAHPYLSX-UHFFFAOYSA-N
XLogP4.27
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
CID 111543243
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 94687468
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7930585
(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 112790494
2-(4-aminophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 119682696
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-4-(methylamino)butanamide
CID 119682698
(2,4-dimethoxyphenyl)methyl-methylcarbamothioic S-acid
CID 115170104
N-benzyl-2-(2,4-dimethoxyphenyl)-N-methylacetamide
CID 110767880
N-[(2,4-dimethoxyphenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 115157957
N-(1-aminopropan-2-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methylacetamide
CID 119583813
(2-methoxyphenyl) 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
CID 8778381

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methylacetamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methylacetamide (CID 27774295) is N-[(2,4-dimethoxyphenyl)methyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methylacetamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methylacetamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methylacetamide is COc1ccc(CN(C)C(=O)Cc2coc3c(C)c(C)ccc23)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methylacetamide?
The InChIKey is ZABOKVUAHPYLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-14-6-9-19-17(13-27-22(19)15(14)2)10-21(24)23(3)12-16-7-8-18(25-4)11-20(16)26-5/h6-9,11,13H,10,12H2,1-5H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methylacetamide?
N-[(2,4-dimethoxyphenyl)methyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methylacetamide has a molecular weight of 367.45 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methylacetamide is sourced from PubChem (CID 27774295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).