cyclopentyl N-[3-[2-[6-[(5R)-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-3-yl]hexoxy]ethoxymethyl]phenyl]carbamate

C34H46N2O8 — CID 66845337

About cyclopentyl N-[3-[2-[6-[(5R)-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-3-yl]hexoxy]ethoxymethyl]phenyl]carbamate

cyclopentyl N-[3-[2-[6-[(5R)-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-3-yl]hexoxy]ethoxymethyl]phenyl]carbamate (PubChem CID 66845337) has the molecular formula C34H46N2O8 and a molecular weight of 610.75 g/mol. Its IUPAC name is cyclopentyl N-[3-[2-[6-[(5R)-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-3-yl]hexoxy]ethoxymethyl]phenyl]carbamate.

Molecular Properties

• Compound Name: cyclopentyl N-[3-[2-[6-[(5R)-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-3-yl]hexoxy]ethoxymethyl]phenyl]carbamate
• PubChem CID: 66845337
• Molecular Formula: C34H46N2O8
• Molecular Weight: 610.75 g/mol
• Exact Mass: 610.33
• IUPAC Name: cyclopentyl N-[3-[2-[6-[(5R)-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-3-yl]hexoxy]ethoxymethyl]phenyl]carbamate
• SMILES: CC1(C)OCc2cc([C@@H]3CN(CCCCCCOCCOCc4cccc(NC(=O)OC5CCCC5)c4)C(=O)O3)ccc2O1
• InChI: InChI=1S/C34H46N2O8/c1-34(2)41-24-27-21-26(14-15-30(27)44-34)31-22-36(33(38)43-31)16-7-3-4-8-17-39-18-19-40-23-25-10-9-11-28(20-25)35-32(37)42-29-12-5-6-13-29/h9-11,14-15,20-21,29,31H,3-8,12-13,16-19,22-24H2,1-2H3,(H,35,37)/t31-/m0/s1
• InChIKey: YQINJDDDPUIJMD-HKBQPEDESA-N
• XLogP: 7.11
• TPSA: 104.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.75
LogP ≤ 5	7.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cyclopentyl N-[3-[2-[6-[(5R)-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-3-yl]hexoxy]ethoxymethyl]phenyl]carbamate?

The IUPAC name of cyclopentyl N-[3-[2-[6-[(5R)-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-3-yl]hexoxy]ethoxymethyl]phenyl]carbamate (CID 66845337) is cyclopentyl N-[3-[2-[6-[(5R)-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-3-yl]hexoxy]ethoxymethyl]phenyl]carbamate.

What is the SMILES notation for cyclopentyl N-[3-[2-[6-[(5R)-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-3-yl]hexoxy]ethoxymethyl]phenyl]carbamate?

The canonical SMILES for cyclopentyl N-[3-[2-[6-[(5R)-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-3-yl]hexoxy]ethoxymethyl]phenyl]carbamate is CC1(C)OCc2cc([C@@H]3CN(CCCCCCOCCOCc4cccc(NC(=O)OC5CCCC5)c4)C(=O)O3)ccc2O1.

What is the InChIKey of cyclopentyl N-[3-[2-[6-[(5R)-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-3-yl]hexoxy]ethoxymethyl]phenyl]carbamate?

The InChIKey is YQINJDDDPUIJMD-HKBQPEDESA-N. The full InChI is InChI=1S/C34H46N2O8/c1-34(2)41-24-27-21-26(14-15-30(27)44-34)31-22-36(33(38)43-31)16-7-3-4-8-17-39-18-19-40-23-25-10-9-11-28(20-25)35-32(37)42-29-12-5-6-13-29/h9-11,14-15,20-21,29,31H,3-8,12-13,16-19,22-24H2,1-2H3,(H,35,37)/t31-/m0/s1.

What are the key properties of cyclopentyl N-[3-[2-[6-[(5R)-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-3-yl]hexoxy]ethoxymethyl]phenyl]carbamate?

cyclopentyl N-[3-[2-[6-[(5R)-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-3-yl]hexoxy]ethoxymethyl]phenyl]carbamate has a molecular weight of 610.75 g/mol, XLogP of 7.11, 15 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopentyl N-[3-[2-[6-[(5R)-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-3-yl]hexoxy]ethoxymethyl]phenyl]carbamate is sourced from PubChem (CID 66845337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).