[2-(ethoxymethoxy)-2-methylpropanoyl]oxymethyl 5-[2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-3-methylbutyl]-4-[2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-3-methylbutyl]-1,3-oxazolidine-3-carboxylate

C40H67N3O12 — CID 75965504

About [2-(ethoxymethoxy)-2-methylpropanoyl]oxymethyl 5-[2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-3-methylbutyl]-4-[2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-3-methylbutyl]-1,3-oxazolidine-3-carboxylate

[2-(ethoxymethoxy)-2-methylpropanoyl]oxymethyl 5-[2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-3-methylbutyl]-4-[2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-3-methylbutyl]-1,3-oxazolidine-3-carboxylate (PubChem CID 75965504) has the molecular formula C40H67N3O12 and a molecular weight of 781.98 g/mol. Its IUPAC name is [2-(ethoxymethoxy)-2-methylpropanoyl]oxymethyl 5-[2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-3-methylbutyl]-4-[2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-3-methylbutyl]-1,3-oxazolidine-3-carboxylate.

Molecular Properties

• Compound Name: [2-(ethoxymethoxy)-2-methylpropanoyl]oxymethyl 5-[2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-3-methylbutyl]-4-[2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-3-methylbutyl]-1,3-oxazolidine-3-carboxylate
• PubChem CID: 75965504
• Molecular Formula: C40H67N3O12
• Molecular Weight: 781.98 g/mol
• Exact Mass: 781.47
• IUPAC Name: [2-(ethoxymethoxy)-2-methylpropanoyl]oxymethyl 5-[2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-3-methylbutyl]-4-[2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-3-methylbutyl]-1,3-oxazolidine-3-carboxylate
• SMILES: CCOCOC(C)(C)C(=O)OCOC(=O)N1COC(CC(C(=O)NCC(C)(C)C(N)=O)C(C)C)C1CC(Cc1ccc(OC)c(OCCCOC)c1)C(C)C
• InChI: InChI=1S/C40H67N3O12/c1-12-50-24-55-40(8,9)37(46)53-25-54-38(47)43-23-52-33(21-30(27(4)5)35(44)42-22-39(6,7)36(41)45)31(43)20-29(26(2)3)18-28-14-15-32(49-11)34(19-28)51-17-13-16-48-10/h14-15,19,26-27,29-31,33H,12-13,16-18,20-25H2,1-11H3,(H2,41,45)(H,42,44)
• InChIKey: FWXKNZWKERPHOR-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 183.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 25
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	781.98
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-(ethoxymethoxy)-2-methylpropanoyl]oxymethyl 5-[2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-3-methylbutyl]-4-[2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-3-methylbutyl]-1,3-oxazolidine-3-carboxylate?

The IUPAC name of [2-(ethoxymethoxy)-2-methylpropanoyl]oxymethyl 5-[2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-3-methylbutyl]-4-[2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-3-methylbutyl]-1,3-oxazolidine-3-carboxylate (CID 75965504) is [2-(ethoxymethoxy)-2-methylpropanoyl]oxymethyl 5-[2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-3-methylbutyl]-4-[2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-3-methylbutyl]-1,3-oxazolidine-3-carboxylate.

What is the SMILES notation for [2-(ethoxymethoxy)-2-methylpropanoyl]oxymethyl 5-[2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-3-methylbutyl]-4-[2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-3-methylbutyl]-1,3-oxazolidine-3-carboxylate?

The canonical SMILES for [2-(ethoxymethoxy)-2-methylpropanoyl]oxymethyl 5-[2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-3-methylbutyl]-4-[2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-3-methylbutyl]-1,3-oxazolidine-3-carboxylate is CCOCOC(C)(C)C(=O)OCOC(=O)N1COC(CC(C(=O)NCC(C)(C)C(N)=O)C(C)C)C1CC(Cc1ccc(OC)c(OCCCOC)c1)C(C)C.

What is the InChIKey of [2-(ethoxymethoxy)-2-methylpropanoyl]oxymethyl 5-[2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-3-methylbutyl]-4-[2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-3-methylbutyl]-1,3-oxazolidine-3-carboxylate?

The InChIKey is FWXKNZWKERPHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H67N3O12/c1-12-50-24-55-40(8,9)37(46)53-25-54-38(47)43-23-52-33(21-30(27(4)5)35(44)42-22-39(6,7)36(41)45)31(43)20-29(26(2)3)18-28-14-15-32(49-11)34(19-28)51-17-13-16-48-10/h14-15,19,26-27,29-31,33H,12-13,16-18,20-25H2,1-11H3,(H2,41,45)(H,42,44).

What are the key properties of [2-(ethoxymethoxy)-2-methylpropanoyl]oxymethyl 5-[2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-3-methylbutyl]-4-[2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-3-methylbutyl]-1,3-oxazolidine-3-carboxylate?

[2-(ethoxymethoxy)-2-methylpropanoyl]oxymethyl 5-[2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-3-methylbutyl]-4-[2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-3-methylbutyl]-1,3-oxazolidine-3-carboxylate has a molecular weight of 781.98 g/mol, XLogP of 5.06, 25 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(ethoxymethoxy)-2-methylpropanoyl]oxymethyl 5-[2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-3-methylbutyl]-4-[2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-3-methylbutyl]-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 75965504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).