N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]nonanamide

C25H37N3O3 — CID 5106815

About N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]nonanamide

N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]nonanamide (PubChem CID 5106815) has the molecular formula C25H37N3O3 and a molecular weight of 427.59 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]nonanamide.

Molecular Properties

• Compound Name: N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]nonanamide
• PubChem CID: 5106815
• Molecular Formula: C25H37N3O3
• Molecular Weight: 427.59 g/mol
• Exact Mass: 427.28
• IUPAC Name: N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]nonanamide
• SMILES: CCCCCCCCC(=O)N(CC(=O)N(Cc1ccco1)Cc1cccn1C)C1CC1
• InChI: InChI=1S/C25H37N3O3/c1-3-4-5-6-7-8-13-24(29)28(21-14-15-21)20-25(30)27(19-23-12-10-17-31-23)18-22-11-9-16-26(22)2/h9-12,16-17,21H,3-8,13-15,18-20H2,1-2H3
• InChIKey: AMUVWRFGTWLEGE-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 58.69 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.59
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]nonanamide?

The IUPAC name of N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]nonanamide (CID 5106815) is N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]nonanamide.

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

The canonical SMILES for N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]nonanamide is CCCCCCCCC(=O)N(CC(=O)N(Cc1ccco1)Cc1cccn1C)C1CC1.

What is the InChIKey of N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]nonanamide?

The InChIKey is AMUVWRFGTWLEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O3/c1-3-4-5-6-7-8-13-24(29)28(21-14-15-21)20-25(30)27(19-23-12-10-17-31-23)18-22-11-9-16-26(22)2/h9-12,16-17,21H,3-8,13-15,18-20H2,1-2H3.

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

N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]nonanamide has a molecular weight of 427.59 g/mol, XLogP of 4.89, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]nonanamide is sourced from PubChem (CID 5106815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).