2-benzo[e][1]benzofuran-1-yl-N-[(4-methoxyphenyl)methyl]-N-methylacetamide

C23H21NO3 — CID 31240268

IUPAC2-benzo[e][1]benzofuran-1-yl-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(CN(C)C(=O)Cc2coc3ccc4ccccc4c23)cc1
InChIInChI=1S/C23H21NO3/c1-24(14-16-7-10-19(26-2)11-8-16)22(25)13-18-15-27-21-12-9-17-5-3-4-6-20(17)23(18)21/h3-12,15H,13-14H2,1-2H3
InChIKeyNQPDSOQDRWVSSB-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.80
Rot. Bonds5

About 2-benzo[e][1]benzofuran-1-yl-N-[(4-methoxyphenyl)methyl]-N-methylacetamide

2-benzo[e][1]benzofuran-1-yl-N-[(4-methoxyphenyl)methyl]-N-methylacetamide (PubChem CID 31240268) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-benzo[e][1]benzofuran-1-yl-N-[(4-methoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-benzo[e][1]benzofuran-1-yl-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
PubChem CID31240268
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Name2-benzo[e][1]benzofuran-1-yl-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(CN(C)C(=O)Cc2coc3ccc4ccccc4c23)cc1
InChIInChI=1S/C23H21NO3/c1-24(14-16-7-10-19(26-2)11-8-16)22(25)13-18-15-27-21-12-9-17-5-3-4-6-20(17)23(18)21/h3-12,15H,13-14H2,1-2H3
InChIKeyNQPDSOQDRWVSSB-UHFFFAOYSA-N
XLogP4.80
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzo[e][1]benzofuran-1-yl-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide
CID 9469786
2-benzo[e][1]benzofuran-1-yl-N-methoxy-N-methylacetamide
CID 18109883
2-benzo[e][1]benzofuran-1-yl-N-methyl-N-naphthalen-2-ylacetamide
CID 18279690
[(2S)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 7901769
2-benzo[e][1]benzofuran-1-yl-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]acetamide
CID 18230580
2-benzo[e][1]benzofuran-1-yl-N-[(3-methoxyphenyl)methyl]acetamide
CID 8921521
2-(1-benzofuran-3-yl)-N-benzyl-N-methylacetamide
CID 110851126
2-benzo[e][1]benzofuran-1-yl-N,N-dipropylacetamide
CID 829751
2-benzo[e][1]benzofuran-1-yl-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 56510653
[2-(4-methoxyanilino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 8525646
2-benzo[e][1]benzofuran-1-yl-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 9480740
2-benzo[e][1]benzofuran-1-yl-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 18872572

Frequently Asked Questions

What is the IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-[(4-methoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-[(4-methoxyphenyl)methyl]-N-methylacetamide (CID 31240268) is 2-benzo[e][1]benzofuran-1-yl-N-[(4-methoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-benzo[e][1]benzofuran-1-yl-N-[(4-methoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-benzo[e][1]benzofuran-1-yl-N-[(4-methoxyphenyl)methyl]-N-methylacetamide is COc1ccc(CN(C)C(=O)Cc2coc3ccc4ccccc4c23)cc1.
What is the InChIKey of 2-benzo[e][1]benzofuran-1-yl-N-[(4-methoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is NQPDSOQDRWVSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c1-24(14-16-7-10-19(26-2)11-8-16)22(25)13-18-15-27-21-12-9-17-5-3-4-6-20(17)23(18)21/h3-12,15H,13-14H2,1-2H3.
What are the key properties of 2-benzo[e][1]benzofuran-1-yl-N-[(4-methoxyphenyl)methyl]-N-methylacetamide?
2-benzo[e][1]benzofuran-1-yl-N-[(4-methoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 359.43 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[e][1]benzofuran-1-yl-N-[(4-methoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 31240268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).