2-benzo[e][1]benzofuran-1-yl-N-ethyl-N-(3-methylphenyl)acetamide

C23H21NO2 — CID 2983025

IUPAC2-benzo[e][1]benzofuran-1-yl-N-ethyl-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)Cc1coc2ccc3ccccc3c12)c1cccc(C)c1
InChIInChI=1S/C23H21NO2/c1-3-24(19-9-6-7-16(2)13-19)22(25)14-18-15-26-21-12-11-17-8-4-5-10-20(17)23(18)21/h4-13,15H,3,14H2,1-2H3
InChIKeyQCWVPKPBUDXYJW-UHFFFAOYSA-N
MW343.43 g/mol
LogP5.49
Rot. Bonds4

About 2-benzo[e][1]benzofuran-1-yl-N-ethyl-N-(3-methylphenyl)acetamide

2-benzo[e][1]benzofuran-1-yl-N-ethyl-N-(3-methylphenyl)acetamide (PubChem CID 2983025) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-benzo[e][1]benzofuran-1-yl-N-ethyl-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-benzo[e][1]benzofuran-1-yl-N-ethyl-N-(3-methylphenyl)acetamide
PubChem CID2983025
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Name2-benzo[e][1]benzofuran-1-yl-N-ethyl-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)Cc1coc2ccc3ccccc3c12)c1cccc(C)c1
InChIInChI=1S/C23H21NO2/c1-3-24(19-9-6-7-16(2)13-19)22(25)14-18-15-26-21-12-11-17-8-4-5-10-20(17)23(18)21/h4-13,15H,3,14H2,1-2H3
InChIKeyQCWVPKPBUDXYJW-UHFFFAOYSA-N
XLogP5.49
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-ethyl-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-ethyl-N-(3-methylphenyl)acetamide (CID 2983025) is 2-benzo[e][1]benzofuran-1-yl-N-ethyl-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-benzo[e][1]benzofuran-1-yl-N-ethyl-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-benzo[e][1]benzofuran-1-yl-N-ethyl-N-(3-methylphenyl)acetamide is CCN(C(=O)Cc1coc2ccc3ccccc3c12)c1cccc(C)c1.
What is the InChIKey of 2-benzo[e][1]benzofuran-1-yl-N-ethyl-N-(3-methylphenyl)acetamide?
The InChIKey is QCWVPKPBUDXYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2/c1-3-24(19-9-6-7-16(2)13-19)22(25)14-18-15-26-21-12-11-17-8-4-5-10-20(17)23(18)21/h4-13,15H,3,14H2,1-2H3.
What are the key properties of 2-benzo[e][1]benzofuran-1-yl-N-ethyl-N-(3-methylphenyl)acetamide?
2-benzo[e][1]benzofuran-1-yl-N-ethyl-N-(3-methylphenyl)acetamide has a molecular weight of 343.43 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[e][1]benzofuran-1-yl-N-ethyl-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 2983025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).