3-cyclopentyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)propanamide

C25H37N3O4 — CID 5174064

About 3-cyclopentyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)propanamide

3-cyclopentyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)propanamide (PubChem CID 5174064) has the molecular formula C25H37N3O4 and a molecular weight of 443.59 g/mol. Its IUPAC name is 3-cyclopentyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)propanamide.

Molecular Properties

• Compound Name: 3-cyclopentyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)propanamide
• PubChem CID: 5174064
• Molecular Formula: C25H37N3O4
• Molecular Weight: 443.59 g/mol
• Exact Mass: 443.28
• IUPAC Name: 3-cyclopentyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)propanamide
• SMILES: COCCCN(CC(=O)N(Cc1ccco1)Cc1cccn1C)C(=O)CCC1CCCC1
• InChI: InChI=1S/C25H37N3O4/c1-26-14-5-10-22(26)18-28(19-23-11-6-17-32-23)25(30)20-27(15-7-16-31-2)24(29)13-12-21-8-3-4-9-21/h5-6,10-11,14,17,21H,3-4,7-9,12-13,15-16,18-20H2,1-2H3
• InChIKey: QHMFJUHWYVTTFA-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 67.92 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.59
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)propanamide?

The IUPAC name of 3-cyclopentyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)propanamide (CID 5174064) is 3-cyclopentyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)propanamide.

What is the SMILES notation for 3-cyclopentyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)propanamide?

The canonical SMILES for 3-cyclopentyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)propanamide is COCCCN(CC(=O)N(Cc1ccco1)Cc1cccn1C)C(=O)CCC1CCCC1.

What is the InChIKey of 3-cyclopentyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)propanamide?

The InChIKey is QHMFJUHWYVTTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O4/c1-26-14-5-10-22(26)18-28(19-23-11-6-17-32-23)25(30)20-27(15-7-16-31-2)24(29)13-12-21-8-3-4-9-21/h5-6,10-11,14,17,21H,3-4,7-9,12-13,15-16,18-20H2,1-2H3.

What are the key properties of 3-cyclopentyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)propanamide?

3-cyclopentyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)propanamide has a molecular weight of 443.59 g/mol, XLogP of 3.98, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopentyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 5174064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).