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

C24H35N3O3 — CID 4254520

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

3-cyclopentyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propylpropanamide (PubChem CID 4254520) has the molecular formula C24H35N3O3 and a molecular weight of 413.56 g/mol. Its IUPAC name is 3-cyclopentyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propylpropanamide.

Molecular Properties

• Compound Name: 3-cyclopentyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propylpropanamide
• PubChem CID: 4254520
• Molecular Formula: C24H35N3O3
• Molecular Weight: 413.56 g/mol
• Exact Mass: 413.27
• IUPAC Name: 3-cyclopentyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propylpropanamide
• SMILES: CCCN(CC(=O)N(Cc1ccco1)Cc1cccn1C)C(=O)CCC1CCCC1
• InChI: InChI=1S/C24H35N3O3/c1-3-14-26(23(28)13-12-20-8-4-5-9-20)19-24(29)27(18-22-11-7-16-30-22)17-21-10-6-15-25(21)2/h6-7,10-11,15-16,20H,3-5,8-9,12-14,17-19H2,1-2H3
• InChIKey: MQTMFJAYDCKUGI-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 58.69 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.56
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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-propylpropanamide?

The IUPAC name of 3-cyclopentyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propylpropanamide (CID 4254520) is 3-cyclopentyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propylpropanamide.

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

The canonical SMILES for 3-cyclopentyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propylpropanamide is CCCN(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-propylpropanamide?

The InChIKey is MQTMFJAYDCKUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O3/c1-3-14-26(23(28)13-12-20-8-4-5-9-20)19-24(29)27(18-22-11-7-16-30-22)17-21-10-6-15-25(21)2/h6-7,10-11,15-16,20H,3-5,8-9,12-14,17-19H2,1-2H3.

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

3-cyclopentyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propylpropanamide has a molecular weight of 413.56 g/mol, XLogP of 4.36, 11 rotatable bonds, 0 hydrogen bond donors, and 4 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-propylpropanamide is sourced from PubChem (CID 4254520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).