N-[2-[4-[4-hydroxy-2-[(1-hydroxy-2-methylpropyl)amino]cyclopentyl]oxy-3-(2-methylpropanoylamino)oxolan-2-yl]oxycyclopentyl]-2-methylpropanamide

C26H47N3O7 — CID 139383793

About N-[2-[4-[4-hydroxy-2-[(1-hydroxy-2-methylpropyl)amino]cyclopentyl]oxy-3-(2-methylpropanoylamino)oxolan-2-yl]oxycyclopentyl]-2-methylpropanamide

N-[2-[4-[4-hydroxy-2-[(1-hydroxy-2-methylpropyl)amino]cyclopentyl]oxy-3-(2-methylpropanoylamino)oxolan-2-yl]oxycyclopentyl]-2-methylpropanamide (PubChem CID 139383793) has the molecular formula C26H47N3O7 and a molecular weight of 513.68 g/mol. Its IUPAC name is N-[2-[4-[4-hydroxy-2-[(1-hydroxy-2-methylpropyl)amino]cyclopentyl]oxy-3-(2-methylpropanoylamino)oxolan-2-yl]oxycyclopentyl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[2-[4-[4-hydroxy-2-[(1-hydroxy-2-methylpropyl)amino]cyclopentyl]oxy-3-(2-methylpropanoylamino)oxolan-2-yl]oxycyclopentyl]-2-methylpropanamide
• PubChem CID: 139383793
• Molecular Formula: C26H47N3O7
• Molecular Weight: 513.68 g/mol
• Exact Mass: 513.34
• IUPAC Name: N-[2-[4-[4-hydroxy-2-[(1-hydroxy-2-methylpropyl)amino]cyclopentyl]oxy-3-(2-methylpropanoylamino)oxolan-2-yl]oxycyclopentyl]-2-methylpropanamide
• SMILES: CC(C)C(=O)NC1CCCC1OC1OCC(OC2CC(O)CC2NC(O)C(C)C)C1NC(=O)C(C)C
• InChI: InChI=1S/C26H47N3O7/c1-13(2)23(31)27-17-8-7-9-19(17)36-26-22(29-25(33)15(5)6)21(12-34-26)35-20-11-16(30)10-18(20)28-24(32)14(3)4/h13-22,24,26,28,30,32H,7-12H2,1-6H3,(H,27,31)(H,29,33)
• InChIKey: IXGINZUAIVXHPC-UHFFFAOYSA-N
• XLogP: 1.03
• TPSA: 138.38 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.68
LogP ≤ 5	1.03
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[4-hydroxy-2-[(1-hydroxy-2-methylpropyl)amino]cyclopentyl]oxy-3-(2-methylpropanoylamino)oxolan-2-yl]oxycyclopentyl]-2-methylpropanamide?

The IUPAC name of N-[2-[4-[4-hydroxy-2-[(1-hydroxy-2-methylpropyl)amino]cyclopentyl]oxy-3-(2-methylpropanoylamino)oxolan-2-yl]oxycyclopentyl]-2-methylpropanamide (CID 139383793) is N-[2-[4-[4-hydroxy-2-[(1-hydroxy-2-methylpropyl)amino]cyclopentyl]oxy-3-(2-methylpropanoylamino)oxolan-2-yl]oxycyclopentyl]-2-methylpropanamide.

What is the SMILES notation for N-[2-[4-[4-hydroxy-2-[(1-hydroxy-2-methylpropyl)amino]cyclopentyl]oxy-3-(2-methylpropanoylamino)oxolan-2-yl]oxycyclopentyl]-2-methylpropanamide?

The canonical SMILES for N-[2-[4-[4-hydroxy-2-[(1-hydroxy-2-methylpropyl)amino]cyclopentyl]oxy-3-(2-methylpropanoylamino)oxolan-2-yl]oxycyclopentyl]-2-methylpropanamide is CC(C)C(=O)NC1CCCC1OC1OCC(OC2CC(O)CC2NC(O)C(C)C)C1NC(=O)C(C)C.

What is the InChIKey of N-[2-[4-[4-hydroxy-2-[(1-hydroxy-2-methylpropyl)amino]cyclopentyl]oxy-3-(2-methylpropanoylamino)oxolan-2-yl]oxycyclopentyl]-2-methylpropanamide?

The InChIKey is IXGINZUAIVXHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H47N3O7/c1-13(2)23(31)27-17-8-7-9-19(17)36-26-22(29-25(33)15(5)6)21(12-34-26)35-20-11-16(30)10-18(20)28-24(32)14(3)4/h13-22,24,26,28,30,32H,7-12H2,1-6H3,(H,27,31)(H,29,33).

What are the key properties of N-[2-[4-[4-hydroxy-2-[(1-hydroxy-2-methylpropyl)amino]cyclopentyl]oxy-3-(2-methylpropanoylamino)oxolan-2-yl]oxycyclopentyl]-2-methylpropanamide?

N-[2-[4-[4-hydroxy-2-[(1-hydroxy-2-methylpropyl)amino]cyclopentyl]oxy-3-(2-methylpropanoylamino)oxolan-2-yl]oxycyclopentyl]-2-methylpropanamide has a molecular weight of 513.68 g/mol, XLogP of 1.03, 11 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[4-hydroxy-2-[(1-hydroxy-2-methylpropyl)amino]cyclopentyl]oxy-3-(2-methylpropanoylamino)oxolan-2-yl]oxycyclopentyl]-2-methylpropanamide is sourced from PubChem (CID 139383793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).