N-[2-(4-methoxyphenyl)ethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide

C20H21NO3 — CID 2107129

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
SMILESCOc1ccc(CCNC(=O)Cc2coc3cc(C)ccc23)cc1
InChIInChI=1S/C20H21NO3/c1-14-3-8-18-16(13-24-19(18)11-14)12-20(22)21-10-9-15-4-6-17(23-2)7-5-15/h3-8,11,13H,9-10,12H2,1-2H3,(H,21,22)
InChIKeyBRMJMAYAYGHJNR-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.65
Rot. Bonds6

About N-[2-(4-methoxyphenyl)ethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide

N-[2-(4-methoxyphenyl)ethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide (PubChem CID 2107129) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
PubChem CID2107129
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
SMILESCOc1ccc(CCNC(=O)Cc2coc3cc(C)ccc23)cc1
InChIInChI=1S/C20H21NO3/c1-14-3-8-18-16(13-24-19(18)11-14)12-20(22)21-10-9-15-4-6-17(23-2)7-5-15/h3-8,11,13H,9-10,12H2,1-2H3,(H,21,22)
InChIKeyBRMJMAYAYGHJNR-UHFFFAOYSA-N
XLogP3.65
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 18872308
2-(2-methoxy-5-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 18107479
2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxyethyl)acetamide
CID 29290752
N-[2-(3-fluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 27857986
N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 30314469
2-(5-methyl-1-benzofuran-3-yl)-N-(2-phenylethyl)acetamide
CID 18872386
N-benzyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2598100
N'-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]-4-methylbenzohydrazide
CID 2492500
2-(6-methoxy-1-benzofuran-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 134054992
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 31449553
[2-(4-methoxyanilino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8525277
N,N-dimethyl-4-[[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]methyl]benzamide
CID 134039170

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide (CID 2107129) is N-[2-(4-methoxyphenyl)ethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide is COc1ccc(CCNC(=O)Cc2coc3cc(C)ccc23)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The InChIKey is BRMJMAYAYGHJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-14-3-8-18-16(13-24-19(18)11-14)12-20(22)21-10-9-15-4-6-17(23-2)7-5-15/h3-8,11,13H,9-10,12H2,1-2H3,(H,21,22).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide?
N-[2-(4-methoxyphenyl)ethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide has a molecular weight of 323.39 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 2107129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).