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

C33H61NO6 — CID 143053804

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

ethane;(4R)-4-hydroxy-N-(1-hydroxyhexan-2-yl)-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide (PubChem CID 143053804) has the molecular formula C33H61NO6 and a molecular weight of 567.85 g/mol. Its IUPAC name is ethane;(4R)-4-hydroxy-N-(1-hydroxyhexan-2-yl)-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide.

Molecular Properties

• Compound Name: ethane;(4R)-4-hydroxy-N-(1-hydroxyhexan-2-yl)-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide
• PubChem CID: 143053804
• Molecular Formula: C33H61NO6
• Molecular Weight: 567.85 g/mol
• Exact Mass: 567.45
• IUPAC Name: ethane;(4R)-4-hydroxy-N-(1-hydroxyhexan-2-yl)-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide
• SMILES: CC.CCCCC(CO)NC(=O)C(C[C@H](O)CCC(Cc1ccc(OC)c(OCCCOC)c1)C(C)C)C(C)C
• InChI: InChI=1S/C31H55NO6.C2H6/c1-8-9-11-26(21-33)32-31(35)28(23(4)5)20-27(34)14-13-25(22(2)3)18-24-12-15-29(37-7)30(19-24)38-17-10-16-36-6;1-2/h12,15,19,22-23,25-28,33-34H,8-11,13-14,16-18,20-21H2,1-7H3,(H,32,35);1-2H3/t25?,26?,27-,28?;/m1./s1
• InChIKey: VYWKEGGIBRJSGN-HOIBQGJZSA-N
• XLogP: 6.42
• TPSA: 97.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 21
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.85
LogP ≤ 5	6.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of ethane;(4R)-4-hydroxy-N-(1-hydroxyhexan-2-yl)-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide (CID 143053804) is ethane;(4R)-4-hydroxy-N-(1-hydroxyhexan-2-yl)-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide.

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

The canonical SMILES for ethane;(4R)-4-hydroxy-N-(1-hydroxyhexan-2-yl)-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide is CC.CCCCC(CO)NC(=O)C(C[C@H](O)CCC(Cc1ccc(OC)c(OCCCOC)c1)C(C)C)C(C)C.

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

The InChIKey is VYWKEGGIBRJSGN-HOIBQGJZSA-N. The full InChI is InChI=1S/C31H55NO6.C2H6/c1-8-9-11-26(21-33)32-31(35)28(23(4)5)20-27(34)14-13-25(22(2)3)18-24-12-15-29(37-7)30(19-24)38-17-10-16-36-6;1-2/h12,15,19,22-23,25-28,33-34H,8-11,13-14,16-18,20-21H2,1-7H3,(H,32,35);1-2H3/t25?,26?,27-,28?;/m1./s1.

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

ethane;(4R)-4-hydroxy-N-(1-hydroxyhexan-2-yl)-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide has a molecular weight of 567.85 g/mol, XLogP of 6.42, 21 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;(4R)-4-hydroxy-N-(1-hydroxyhexan-2-yl)-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide is sourced from PubChem (CID 143053804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).