2,2,3-trimethyl-N-[1-[methyl-[1-[methyl-[4-methyl-1-[[3-methyl-1-[methyl-[4-methyl-1-oxo-1-(2-oxooctan-3-ylamino)pentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-5-propan-2-yl-1,3-oxazolidine-4-carboxamide

C46H85N7O8 — CID 20703139

About 2,2,3-trimethyl-N-[1-[methyl-[1-[methyl-[4-methyl-1-[[3-methyl-1-[methyl-[4-methyl-1-oxo-1-(2-oxooctan-3-ylamino)pentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-5-propan-2-yl-1,3-oxazolidine-4-carboxamide

2,2,3-trimethyl-N-[1-[methyl-[1-[methyl-[4-methyl-1-[[3-methyl-1-[methyl-[4-methyl-1-oxo-1-(2-oxooctan-3-ylamino)pentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-5-propan-2-yl-1,3-oxazolidine-4-carboxamide (PubChem CID 20703139) has the molecular formula C46H85N7O8 and a molecular weight of 864.23 g/mol. Its IUPAC name is 2,2,3-trimethyl-N-[1-[methyl-[1-[methyl-[4-methyl-1-[[3-methyl-1-[methyl-[4-methyl-1-oxo-1-(2-oxooctan-3-ylamino)pentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-5-propan-2-yl-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: 2,2,3-trimethyl-N-[1-[methyl-[1-[methyl-[4-methyl-1-[[3-methyl-1-[methyl-[4-methyl-1-oxo-1-(2-oxooctan-3-ylamino)pentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-5-propan-2-yl-1,3-oxazolidine-4-carboxamide
• PubChem CID: 20703139
• Molecular Formula: C46H85N7O8
• Molecular Weight: 864.23 g/mol
• Exact Mass: 863.65
• IUPAC Name: 2,2,3-trimethyl-N-[1-[methyl-[1-[methyl-[4-methyl-1-[[3-methyl-1-[methyl-[4-methyl-1-oxo-1-(2-oxooctan-3-ylamino)pentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-5-propan-2-yl-1,3-oxazolidine-4-carboxamide
• SMILES: CCCCCC(NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)C(CC)N(C)C(=O)C(CC)NC(=O)C1C(C(C)C)OC(C)(C)N1C)C(C)C)C(C)=O
• InChI: InChI=1S/C46H85N7O8/c1-19-22-23-24-33(31(12)54)48-40(55)35(25-27(4)5)52(17)45(60)37(29(8)9)49-41(56)36(26-28(6)7)51(16)44(59)34(21-3)50(15)43(58)32(20-2)47-42(57)38-39(30(10)11)61-46(13,14)53(38)18/h27-30,32-39H,19-26H2,1-18H3,(H,47,57)(H,48,55)(H,49,56)
• InChIKey: MRTCHXFMFRFOOR-UHFFFAOYSA-N
• XLogP: 4.75
• TPSA: 177.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 25
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	864.23
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-N-[1-[methyl-[1-[methyl-[4-methyl-1-[[3-methyl-1-[methyl-[4-methyl-1-oxo-1-(2-oxooctan-3-ylamino)pentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-5-propan-2-yl-1,3-oxazolidine-4-carboxamide?

The IUPAC name of 2,2,3-trimethyl-N-[1-[methyl-[1-[methyl-[4-methyl-1-[[3-methyl-1-[methyl-[4-methyl-1-oxo-1-(2-oxooctan-3-ylamino)pentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-5-propan-2-yl-1,3-oxazolidine-4-carboxamide (CID 20703139) is 2,2,3-trimethyl-N-[1-[methyl-[1-[methyl-[4-methyl-1-[[3-methyl-1-[methyl-[4-methyl-1-oxo-1-(2-oxooctan-3-ylamino)pentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-5-propan-2-yl-1,3-oxazolidine-4-carboxamide.

What is the SMILES notation for 2,2,3-trimethyl-N-[1-[methyl-[1-[methyl-[4-methyl-1-[[3-methyl-1-[methyl-[4-methyl-1-oxo-1-(2-oxooctan-3-ylamino)pentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-5-propan-2-yl-1,3-oxazolidine-4-carboxamide?

The canonical SMILES for 2,2,3-trimethyl-N-[1-[methyl-[1-[methyl-[4-methyl-1-[[3-methyl-1-[methyl-[4-methyl-1-oxo-1-(2-oxooctan-3-ylamino)pentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-5-propan-2-yl-1,3-oxazolidine-4-carboxamide is CCCCCC(NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)C(CC)N(C)C(=O)C(CC)NC(=O)C1C(C(C)C)OC(C)(C)N1C)C(C)C)C(C)=O.

What is the InChIKey of 2,2,3-trimethyl-N-[1-[methyl-[1-[methyl-[4-methyl-1-[[3-methyl-1-[methyl-[4-methyl-1-oxo-1-(2-oxooctan-3-ylamino)pentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-5-propan-2-yl-1,3-oxazolidine-4-carboxamide?

The InChIKey is MRTCHXFMFRFOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H85N7O8/c1-19-22-23-24-33(31(12)54)48-40(55)35(25-27(4)5)52(17)45(60)37(29(8)9)49-41(56)36(26-28(6)7)51(16)44(59)34(21-3)50(15)43(58)32(20-2)47-42(57)38-39(30(10)11)61-46(13,14)53(38)18/h27-30,32-39H,19-26H2,1-18H3,(H,47,57)(H,48,55)(H,49,56).

What are the key properties of 2,2,3-trimethyl-N-[1-[methyl-[1-[methyl-[4-methyl-1-[[3-methyl-1-[methyl-[4-methyl-1-oxo-1-(2-oxooctan-3-ylamino)pentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-5-propan-2-yl-1,3-oxazolidine-4-carboxamide?

2,2,3-trimethyl-N-[1-[methyl-[1-[methyl-[4-methyl-1-[[3-methyl-1-[methyl-[4-methyl-1-oxo-1-(2-oxooctan-3-ylamino)pentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-5-propan-2-yl-1,3-oxazolidine-4-carboxamide has a molecular weight of 864.23 g/mol, XLogP of 4.75, 25 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,3-trimethyl-N-[1-[methyl-[1-[methyl-[4-methyl-1-[[3-methyl-1-[methyl-[4-methyl-1-oxo-1-(2-oxooctan-3-ylamino)pentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-5-propan-2-yl-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 20703139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).