N-(1-benzofuran-2-ylmethyl)-2-(3-methoxyphenyl)-N-methylacetamide

C19H19NO3 — CID 110732936

IUPACN-(1-benzofuran-2-ylmethyl)-2-(3-methoxyphenyl)-N-methylacetamide
SMILESCOc1cccc(CC(=O)N(C)Cc2cc3ccccc3o2)c1
InChIInChI=1S/C19H19NO3/c1-20(13-17-12-15-7-3-4-9-18(15)23-17)19(21)11-14-6-5-8-16(10-14)22-2/h3-10,12H,11,13H2,1-2H3
InChIKeyAFGCVMXQVMXSRJ-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.64
Rot. Bonds5

About N-(1-benzofuran-2-ylmethyl)-2-(3-methoxyphenyl)-N-methylacetamide

N-(1-benzofuran-2-ylmethyl)-2-(3-methoxyphenyl)-N-methylacetamide (PubChem CID 110732936) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-2-(3-methoxyphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-2-(3-methoxyphenyl)-N-methylacetamide
PubChem CID110732936
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC NameN-(1-benzofuran-2-ylmethyl)-2-(3-methoxyphenyl)-N-methylacetamide
SMILESCOc1cccc(CC(=O)N(C)Cc2cc3ccccc3o2)c1
InChIInChI=1S/C19H19NO3/c1-20(13-17-12-15-7-3-4-9-18(15)23-17)19(21)11-14-6-5-8-16(10-14)22-2/h3-10,12H,11,13H2,1-2H3
InChIKeyAFGCVMXQVMXSRJ-UHFFFAOYSA-N
XLogP3.64
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzofuran-2-ylmethyl)-3-(4-methoxyphenyl)-N-methylpropanamide
CID 110732927
N-(1-benzofuran-2-ylmethyl)-N-methyl-2-(3-methylphenoxy)acetamide
CID 110732938
N-(1-benzofuran-2-ylmethyl)-N,3-dimethylbutanamide
CID 110732893
N-(1-benzofuran-2-ylmethyl)-N,2-dimethylpropanamide
CID 110732890
N'-(1-benzofuran-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 132523349
2-(3-methoxyphenyl)-N-methyl-N-(2-phenoxyethyl)acetamide
CID 78781283
2-(3-methoxyphenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
CID 64511765
2-(4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 78762272
methyl 5-[[3-(3-methoxyphenyl)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 34485199
N-[1-(1-benzofuran-2-yl)ethyl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 46551191
N-[1-(1-benzofuran-2-yl)ethyl]-2-(3-methoxyphenoxy)-N-methylacetamide
CID 87015123
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(3-methoxyphenyl)-N-methylacetamide
CID 93239749

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-2-(3-methoxyphenyl)-N-methylacetamide?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-2-(3-methoxyphenyl)-N-methylacetamide (CID 110732936) is N-(1-benzofuran-2-ylmethyl)-2-(3-methoxyphenyl)-N-methylacetamide.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-2-(3-methoxyphenyl)-N-methylacetamide?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-2-(3-methoxyphenyl)-N-methylacetamide is COc1cccc(CC(=O)N(C)Cc2cc3ccccc3o2)c1.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-2-(3-methoxyphenyl)-N-methylacetamide?
The InChIKey is AFGCVMXQVMXSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-20(13-17-12-15-7-3-4-9-18(15)23-17)19(21)11-14-6-5-8-16(10-14)22-2/h3-10,12H,11,13H2,1-2H3.
What are the key properties of N-(1-benzofuran-2-ylmethyl)-2-(3-methoxyphenyl)-N-methylacetamide?
N-(1-benzofuran-2-ylmethyl)-2-(3-methoxyphenyl)-N-methylacetamide has a molecular weight of 309.37 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-2-(3-methoxyphenyl)-N-methylacetamide is sourced from PubChem (CID 110732936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).