N-(1-benzofuran-2-ylmethyl)-3-(4-methoxyphenyl)-N-methylpropanamide

C20H21NO3 — CID 110732927

IUPACN-(1-benzofuran-2-ylmethyl)-3-(4-methoxyphenyl)-N-methylpropanamide
SMILESCOc1ccc(CCC(=O)N(C)Cc2cc3ccccc3o2)cc1
InChIInChI=1S/C20H21NO3/c1-21(14-18-13-16-5-3-4-6-19(16)24-18)20(22)12-9-15-7-10-17(23-2)11-8-15/h3-8,10-11,13H,9,12,14H2,1-2H3
InChIKeyUBHKKVZVLIFVGF-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.03
Rot. Bonds6

About N-(1-benzofuran-2-ylmethyl)-3-(4-methoxyphenyl)-N-methylpropanamide

N-(1-benzofuran-2-ylmethyl)-3-(4-methoxyphenyl)-N-methylpropanamide (PubChem CID 110732927) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-3-(4-methoxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-3-(4-methoxyphenyl)-N-methylpropanamide
PubChem CID110732927
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC NameN-(1-benzofuran-2-ylmethyl)-3-(4-methoxyphenyl)-N-methylpropanamide
SMILESCOc1ccc(CCC(=O)N(C)Cc2cc3ccccc3o2)cc1
InChIInChI=1S/C20H21NO3/c1-21(14-18-13-16-5-3-4-6-19(16)24-18)20(22)12-9-15-7-10-17(23-2)11-8-15/h3-8,10-11,13H,9,12,14H2,1-2H3
InChIKeyUBHKKVZVLIFVGF-UHFFFAOYSA-N
XLogP4.03
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzofuran-2-ylmethyl)-2-(3-methoxyphenyl)-N-methylacetamide
CID 110732936
N'-(1-benzofuran-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 132523349
N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-3-(4-methoxyphenyl)propanamide
CID 124759090
N-(1-benzofuran-2-ylmethyl)-N,3-dimethylbutanamide
CID 110732893
N-[(2-bromophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 78780684
N-[(4-bromothiophen-2-yl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 47042136
N-(1-benzofuran-2-ylmethyl)-N-methyl-2-(3-methylphenoxy)acetamide
CID 110732938
N-(1-benzofuran-2-ylmethyl)-N,2-dimethylpropanamide
CID 110732890
methyl 5-[[3-(3-methoxyphenyl)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 34485199
N-(1-benzofuran-2-ylmethyl)-2-(4-methoxyphenyl)ethanamine
CID 29276863
N-[1-(1-benzofuran-2-yl)ethyl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 46551191
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-thiophen-2-ylpropanamide
CID 24682495

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-3-(4-methoxyphenyl)-N-methylpropanamide?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-3-(4-methoxyphenyl)-N-methylpropanamide (CID 110732927) is N-(1-benzofuran-2-ylmethyl)-3-(4-methoxyphenyl)-N-methylpropanamide.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-3-(4-methoxyphenyl)-N-methylpropanamide?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-3-(4-methoxyphenyl)-N-methylpropanamide is COc1ccc(CCC(=O)N(C)Cc2cc3ccccc3o2)cc1.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-3-(4-methoxyphenyl)-N-methylpropanamide?
The InChIKey is UBHKKVZVLIFVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-21(14-18-13-16-5-3-4-6-19(16)24-18)20(22)12-9-15-7-10-17(23-2)11-8-15/h3-8,10-11,13H,9,12,14H2,1-2H3.
What are the key properties of N-(1-benzofuran-2-ylmethyl)-3-(4-methoxyphenyl)-N-methylpropanamide?
N-(1-benzofuran-2-ylmethyl)-3-(4-methoxyphenyl)-N-methylpropanamide has a molecular weight of 323.39 g/mol, XLogP of 4.03, 6 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)-3-(4-methoxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 110732927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).