(4R)-N-(1-fluorocyclopentyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide

C30H50FNO5 — CID 143053801

About (4R)-N-(1-fluorocyclopentyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide

(4R)-N-(1-fluorocyclopentyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide (PubChem CID 143053801) has the molecular formula C30H50FNO5 and a molecular weight of 523.73 g/mol. Its IUPAC name is (4R)-N-(1-fluorocyclopentyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide.

Molecular Properties

• Compound Name: (4R)-N-(1-fluorocyclopentyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide
• PubChem CID: 143053801
• Molecular Formula: C30H50FNO5
• Molecular Weight: 523.73 g/mol
• Exact Mass: 523.37
• IUPAC Name: (4R)-N-(1-fluorocyclopentyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide
• SMILES: COCCCOc1cc(CC(CC[C@@H](O)CC(C(=O)NC2(F)CCCC2)C(C)C)C(C)C)ccc1OC
• InChI: InChI=1S/C30H50FNO5/c1-21(2)24(18-23-10-13-27(36-6)28(19-23)37-17-9-16-35-5)11-12-25(33)20-26(22(3)4)29(34)32-30(31)14-7-8-15-30/h10,13,19,21-22,24-26,33H,7-9,11-12,14-18,20H2,1-6H3,(H,32,34)/t24?,25-,26?/m1/s1
• InChIKey: QFHMSZXODKFVAJ-GXUWAKPLSA-N
• XLogP: 6.08
• TPSA: 77.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 17
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.73
LogP ≤ 5	6.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(1-fluorocyclopentyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide?

The IUPAC name of (4R)-N-(1-fluorocyclopentyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide (CID 143053801) is (4R)-N-(1-fluorocyclopentyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide.

What is the SMILES notation for (4R)-N-(1-fluorocyclopentyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide?

The canonical SMILES for (4R)-N-(1-fluorocyclopentyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide is COCCCOc1cc(CC(CC[C@@H](O)CC(C(=O)NC2(F)CCCC2)C(C)C)C(C)C)ccc1OC.

What is the InChIKey of (4R)-N-(1-fluorocyclopentyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide?

The InChIKey is QFHMSZXODKFVAJ-GXUWAKPLSA-N. The full InChI is InChI=1S/C30H50FNO5/c1-21(2)24(18-23-10-13-27(36-6)28(19-23)37-17-9-16-35-5)11-12-25(33)20-26(22(3)4)29(34)32-30(31)14-7-8-15-30/h10,13,19,21-22,24-26,33H,7-9,11-12,14-18,20H2,1-6H3,(H,32,34)/t24?,25-,26?/m1/s1.

What are the key properties of (4R)-N-(1-fluorocyclopentyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide?

(4R)-N-(1-fluorocyclopentyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide has a molecular weight of 523.73 g/mol, XLogP of 6.08, 17 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-N-(1-fluorocyclopentyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide is sourced from PubChem (CID 143053801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).