2-benzo[e][1]benzofuran-1-yl-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide

C24H23NO3 — CID 9469786

IUPAC2-benzo[e][1]benzofuran-1-yl-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(C)cc1CN(C)C(=O)Cc1coc2ccc3ccccc3c12
InChIInChI=1S/C24H23NO3/c1-16-8-10-21(27-3)18(12-16)14-25(2)23(26)13-19-15-28-22-11-9-17-6-4-5-7-20(17)24(19)22/h4-12,15H,13-14H2,1-3H3
InChIKeyMJNSMZILORBGOB-UHFFFAOYSA-N
MW373.45 g/mol
LogP5.10
Rot. Bonds5

About 2-benzo[e][1]benzofuran-1-yl-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide

2-benzo[e][1]benzofuran-1-yl-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide (PubChem CID 9469786) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is 2-benzo[e][1]benzofuran-1-yl-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-benzo[e][1]benzofuran-1-yl-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide
PubChem CID9469786
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name2-benzo[e][1]benzofuran-1-yl-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(C)cc1CN(C)C(=O)Cc1coc2ccc3ccccc3c12
InChIInChI=1S/C24H23NO3/c1-16-8-10-21(27-3)18(12-16)14-25(2)23(26)13-19-15-28-22-11-9-17-6-4-5-7-20(17)24(19)22/h4-12,15H,13-14H2,1-3H3
InChIKeyMJNSMZILORBGOB-UHFFFAOYSA-N
XLogP5.10
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.45
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzo[e][1]benzofuran-1-yl-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 31240268
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
N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-2-naphthalen-2-yloxyacetamide
CID 9469697
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,N-dipropylacetamide
CID 829751
2-benzo[e][1]benzofuran-1-yl-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 56510653
(4-chloro-2-methylphenyl) 2-benzo[e][1]benzofuran-1-ylacetate
CID 7931004
(2-methoxy-5-methylphenyl)methyl-methylcarbamic acid
CID 115170937
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-naphthalen-1-ylacetamide
CID 18111559
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 8525666
2-benzo[e][1]benzofuran-1-yl-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 9480740

Frequently Asked Questions

What is the IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide (CID 9469786) is 2-benzo[e][1]benzofuran-1-yl-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-benzo[e][1]benzofuran-1-yl-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-benzo[e][1]benzofuran-1-yl-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide is COc1ccc(C)cc1CN(C)C(=O)Cc1coc2ccc3ccccc3c12.
What is the InChIKey of 2-benzo[e][1]benzofuran-1-yl-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide?
The InChIKey is MJNSMZILORBGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-16-8-10-21(27-3)18(12-16)14-25(2)23(26)13-19-15-28-22-11-9-17-6-4-5-7-20(17)24(19)22/h4-12,15H,13-14H2,1-3H3.
What are the key properties of 2-benzo[e][1]benzofuran-1-yl-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide?
2-benzo[e][1]benzofuran-1-yl-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide has a molecular weight of 373.45 g/mol, XLogP of 5.10, 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-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 9469786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).