N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-3-cyclopentyl-N-(3-ethoxypropyl)propanamide

C28H40N2O4 — CID 3408962

About N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-3-cyclopentyl-N-(3-ethoxypropyl)propanamide

N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-3-cyclopentyl-N-(3-ethoxypropyl)propanamide (PubChem CID 3408962) has the molecular formula C28H40N2O4 and a molecular weight of 468.64 g/mol. Its IUPAC name is N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-3-cyclopentyl-N-(3-ethoxypropyl)propanamide.

Molecular Properties

• Compound Name: N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-3-cyclopentyl-N-(3-ethoxypropyl)propanamide
• PubChem CID: 3408962
• Molecular Formula: C28H40N2O4
• Molecular Weight: 468.64 g/mol
• Exact Mass: 468.30
• IUPAC Name: N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-3-cyclopentyl-N-(3-ethoxypropyl)propanamide
• SMILES: CCOCCCN(CC(=O)N(Cc1ccccc1)Cc1ccc(C)o1)C(=O)CCC1CCCC1
• InChI: InChI=1S/C28H40N2O4/c1-3-33-19-9-18-29(27(31)17-15-24-10-7-8-11-24)22-28(32)30(20-25-12-5-4-6-13-25)21-26-16-14-23(2)34-26/h4-6,12-14,16,24H,3,7-11,15,17-22H2,1-2H3
• InChIKey: QHWYAPRWNJMQBJ-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 62.99 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.64
LogP ≤ 5	5.34
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-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-3-cyclopentyl-N-(3-ethoxypropyl)propanamide?

The IUPAC name of N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-3-cyclopentyl-N-(3-ethoxypropyl)propanamide (CID 3408962) is N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-3-cyclopentyl-N-(3-ethoxypropyl)propanamide.

What is the SMILES notation for N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-3-cyclopentyl-N-(3-ethoxypropyl)propanamide?

The canonical SMILES for N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-3-cyclopentyl-N-(3-ethoxypropyl)propanamide is CCOCCCN(CC(=O)N(Cc1ccccc1)Cc1ccc(C)o1)C(=O)CCC1CCCC1.

What is the InChIKey of N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-3-cyclopentyl-N-(3-ethoxypropyl)propanamide?

The InChIKey is QHWYAPRWNJMQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N2O4/c1-3-33-19-9-18-29(27(31)17-15-24-10-7-8-11-24)22-28(32)30(20-25-12-5-4-6-13-25)21-26-16-14-23(2)34-26/h4-6,12-14,16,24H,3,7-11,15,17-22H2,1-2H3.

What are the key properties of N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-3-cyclopentyl-N-(3-ethoxypropyl)propanamide?

N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-3-cyclopentyl-N-(3-ethoxypropyl)propanamide has a molecular weight of 468.64 g/mol, XLogP of 5.34, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-3-cyclopentyl-N-(3-ethoxypropyl)propanamide is sourced from PubChem (CID 3408962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).