2-[[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamoyloxy]ethyl N-[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamate

C38H34N4O10 — CID 162471319

About 2-[[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamoyloxy]ethyl N-[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamate

2-[[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamoyloxy]ethyl N-[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamate (PubChem CID 162471319) has the molecular formula C38H34N4O10 and a molecular weight of 706.71 g/mol. Its IUPAC name is 2-[[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamoyloxy]ethyl N-[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamate.

Molecular Properties

• Compound Name: 2-[[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamoyloxy]ethyl N-[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamate
• PubChem CID: 162471319
• Molecular Formula: C38H34N4O10
• Molecular Weight: 706.71 g/mol
• Exact Mass: 706.23
• IUPAC Name: 2-[[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamoyloxy]ethyl N-[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamate
• SMILES: CC1OC(=O)N(c2ccc(Cc3ccc(NC(=O)OCCOC(=O)Nc4ccc(Cc5ccc(N6C(=O)OC(C)C6=O)cc5)cc4)cc3)cc2)C1=O
• InChI: InChI=1S/C38H34N4O10/c1-23-33(43)41(37(47)51-23)31-15-7-27(8-16-31)21-25-3-11-29(12-4-25)39-35(45)49-19-20-50-36(46)40-30-13-5-26(6-14-30)22-28-9-17-32(18-10-28)42-34(44)24(2)52-38(42)48/h3-18,23-24H,19-22H2,1-2H3,(H,39,45)(H,40,46)
• InChIKey: OASPMBUUNQXEKP-UHFFFAOYSA-N
• XLogP: 6.41
• TPSA: 169.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	706.71
LogP ≤ 5	6.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamoyloxy]ethyl N-[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamate?

The IUPAC name of 2-[[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamoyloxy]ethyl N-[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamate (CID 162471319) is 2-[[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamoyloxy]ethyl N-[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamate.

What is the SMILES notation for 2-[[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamoyloxy]ethyl N-[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamate?

The canonical SMILES for 2-[[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamoyloxy]ethyl N-[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamate is CC1OC(=O)N(c2ccc(Cc3ccc(NC(=O)OCCOC(=O)Nc4ccc(Cc5ccc(N6C(=O)OC(C)C6=O)cc5)cc4)cc3)cc2)C1=O.

What is the InChIKey of 2-[[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamoyloxy]ethyl N-[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamate?

The InChIKey is OASPMBUUNQXEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34N4O10/c1-23-33(43)41(37(47)51-23)31-15-7-27(8-16-31)21-25-3-11-29(12-4-25)39-35(45)49-19-20-50-36(46)40-30-13-5-26(6-14-30)22-28-9-17-32(18-10-28)42-34(44)24(2)52-38(42)48/h3-18,23-24H,19-22H2,1-2H3,(H,39,45)(H,40,46).

What are the key properties of 2-[[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamoyloxy]ethyl N-[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamate?

2-[[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamoyloxy]ethyl N-[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamate has a molecular weight of 706.71 g/mol, XLogP of 6.41, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamoyloxy]ethyl N-[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamate is sourced from PubChem (CID 162471319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).