N-[4-[1-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]ethyl]phenyl]propanamide

C24H26N2O3 — CID 55675441

About N-[4-[1-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]ethyl]phenyl]propanamide

N-[4-[1-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]ethyl]phenyl]propanamide (PubChem CID 55675441) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is N-[4-[1-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]ethyl]phenyl]propanamide.

Molecular Properties

• Compound Name: N-[4-[1-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]ethyl]phenyl]propanamide
• PubChem CID: 55675441
• Molecular Formula: C24H26N2O3
• Molecular Weight: 390.48 g/mol
• Exact Mass: 390.19
• IUPAC Name: N-[4-[1-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]ethyl]phenyl]propanamide
• SMILES: CCC(=O)Nc1ccc(C(C)NC(=O)Cc2coc3cc4c(cc23)CCC4)cc1
• InChI: InChI=1S/C24H26N2O3/c1-3-23(27)26-20-9-7-16(8-10-20)15(2)25-24(28)13-19-14-29-22-12-18-6-4-5-17(18)11-21(19)22/h7-12,14-15H,3-6,13H2,1-2H3,(H,25,28)(H,26,27)
• InChIKey: AWHVYOZVOKYWEF-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 71.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.48
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]ethyl]phenyl]propanamide?

The IUPAC name of N-[4-[1-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]ethyl]phenyl]propanamide (CID 55675441) is N-[4-[1-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]ethyl]phenyl]propanamide.

What is the SMILES notation for N-[4-[1-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]ethyl]phenyl]propanamide?

The canonical SMILES for N-[4-[1-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]ethyl]phenyl]propanamide is CCC(=O)Nc1ccc(C(C)NC(=O)Cc2coc3cc4c(cc23)CCC4)cc1.

What is the InChIKey of N-[4-[1-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]ethyl]phenyl]propanamide?

The InChIKey is AWHVYOZVOKYWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-3-23(27)26-20-9-7-16(8-10-20)15(2)25-24(28)13-19-14-29-22-12-18-6-4-5-17(18)11-21(19)22/h7-12,14-15H,3-6,13H2,1-2H3,(H,25,28)(H,26,27).

What are the key properties of N-[4-[1-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]ethyl]phenyl]propanamide?

N-[4-[1-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]ethyl]phenyl]propanamide has a molecular weight of 390.48 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[1-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]ethyl]phenyl]propanamide is sourced from PubChem (CID 55675441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).