N-[2-(benzylamino)-2-oxoethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide

C22H22N2O3 — CID 46462194

About N-[2-(benzylamino)-2-oxoethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide

N-[2-(benzylamino)-2-oxoethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide (PubChem CID 46462194) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[2-(benzylamino)-2-oxoethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[2-(benzylamino)-2-oxoethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
• PubChem CID: 46462194
• Molecular Formula: C22H22N2O3
• Molecular Weight: 362.43 g/mol
• Exact Mass: 362.16
• IUPAC Name: N-[2-(benzylamino)-2-oxoethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
• SMILES: O=C(CNC(=O)Cc1coc2cc3c(cc12)CCC3)NCc1ccccc1
• InChI: InChI=1S/C22H22N2O3/c25-21(24-13-22(26)23-12-15-5-2-1-3-6-15)11-18-14-27-20-10-17-8-4-7-16(17)9-19(18)20/h1-3,5-6,9-10,14H,4,7-8,11-13H2,(H,23,26)(H,24,25)
• InChIKey: CGKTWZYXTQCZQF-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 71.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.43
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylamino)-2-oxoethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide?

The IUPAC name of N-[2-(benzylamino)-2-oxoethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide (CID 46462194) is N-[2-(benzylamino)-2-oxoethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide.

What is the SMILES notation for N-[2-(benzylamino)-2-oxoethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide?

The canonical SMILES for N-[2-(benzylamino)-2-oxoethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide is O=C(CNC(=O)Cc1coc2cc3c(cc12)CCC3)NCc1ccccc1.

What is the InChIKey of N-[2-(benzylamino)-2-oxoethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide?

The InChIKey is CGKTWZYXTQCZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c25-21(24-13-22(26)23-12-15-5-2-1-3-6-15)11-18-14-27-20-10-17-8-4-7-16(17)9-19(18)20/h1-3,5-6,9-10,14H,4,7-8,11-13H2,(H,23,26)(H,24,25).

What are the key properties of N-[2-(benzylamino)-2-oxoethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide?

N-[2-(benzylamino)-2-oxoethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide has a molecular weight of 362.43 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(benzylamino)-2-oxoethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide is sourced from PubChem (CID 46462194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).