methyl 2-[[2-[[2-[[2-[bis[2-[bis(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-[2-[4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butoxy]acetyl]amino]acetyl]-[2-[bis(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]amino]acetyl]-(2-methoxy-2-oxoethyl)amino]acetate

C46H62F9N7O24 — CID 58275050

About methyl 2-[[2-[[2-[[2-[bis[2-[bis(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-[2-[4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butoxy]acetyl]amino]acetyl]-[2-[bis(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]amino]acetyl]-(2-methoxy-2-oxoethyl)amino]acetate

methyl 2-[[2-[[2-[[2-[bis[2-[bis(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-[2-[4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butoxy]acetyl]amino]acetyl]-[2-[bis(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]amino]acetyl]-(2-methoxy-2-oxoethyl)amino]acetate (PubChem CID 58275050) has the molecular formula C46H62F9N7O24 and a molecular weight of 1268.01 g/mol. Its IUPAC name is methyl 2-[[2-[[2-[[2-[bis[2-[bis(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-[2-[4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butoxy]acetyl]amino]acetyl]-[2-[bis(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]amino]acetyl]-(2-methoxy-2-oxoethyl)amino]acetate.

Molecular Properties

• Compound Name: methyl 2-[[2-[[2-[[2-[bis[2-[bis(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-[2-[4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butoxy]acetyl]amino]acetyl]-[2-[bis(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]amino]acetyl]-(2-methoxy-2-oxoethyl)amino]acetate
• PubChem CID: 58275050
• Molecular Formula: C46H62F9N7O24
• Molecular Weight: 1268.01 g/mol
• Exact Mass: 1267.37
• IUPAC Name: methyl 2-[[2-[[2-[[2-[bis[2-[bis(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-[2-[4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butoxy]acetyl]amino]acetyl]-[2-[bis(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]amino]acetyl]-(2-methoxy-2-oxoethyl)amino]acetate
• SMILES: COC(=O)CN(CC(=O)OC)C(=O)CN(CC(=O)N(CC(=O)OC)CC(=O)OC)C(=O)CN(CC(=O)N(CC(=O)N(CC(=O)OC)CC(=O)OC)CC(=O)N(CC(=O)OC)CC(=O)OC)C(=O)COCC(CC(F)(F)F)(CC(F)(F)F)CC(F)(F)F
• InChI: InChI=1S/C46H62F9N7O24/c1-78-35(70)15-59(16-36(71)79-2)30(65)9-56(10-31(66)60(17-37(72)80-3)18-38(73)81-4)28(63)13-58(34(69)23-86-27-43(24-44(47,48)49,25-45(50,51)52)26-46(53,54)55)14-29(64)57(11-32(67)61(19-39(74)82-5)20-40(75)83-6)12-33(68)62(21-41(76)84-7)22-42(77)85-8/h9-27H2,1-8H3
• InChIKey: PECTVZOYBVQBNG-UHFFFAOYSA-N
• XLogP: -2.97
• TPSA: 361.80 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 35
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1268.01
LogP ≤ 5	-2.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[[2-[[2-[bis[2-[bis(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-[2-[4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butoxy]acetyl]amino]acetyl]-[2-[bis(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]amino]acetyl]-(2-methoxy-2-oxoethyl)amino]acetate?

The IUPAC name of methyl 2-[[2-[[2-[[2-[bis[2-[bis(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-[2-[4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butoxy]acetyl]amino]acetyl]-[2-[bis(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]amino]acetyl]-(2-methoxy-2-oxoethyl)amino]acetate (CID 58275050) is methyl 2-[[2-[[2-[[2-[bis[2-[bis(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-[2-[4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butoxy]acetyl]amino]acetyl]-[2-[bis(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]amino]acetyl]-(2-methoxy-2-oxoethyl)amino]acetate.

What is the SMILES notation for methyl 2-[[2-[[2-[[2-[bis[2-[bis(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-[2-[4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butoxy]acetyl]amino]acetyl]-[2-[bis(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]amino]acetyl]-(2-methoxy-2-oxoethyl)amino]acetate?

The canonical SMILES for methyl 2-[[2-[[2-[[2-[bis[2-[bis(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-[2-[4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butoxy]acetyl]amino]acetyl]-[2-[bis(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]amino]acetyl]-(2-methoxy-2-oxoethyl)amino]acetate is COC(=O)CN(CC(=O)OC)C(=O)CN(CC(=O)N(CC(=O)OC)CC(=O)OC)C(=O)CN(CC(=O)N(CC(=O)N(CC(=O)OC)CC(=O)OC)CC(=O)N(CC(=O)OC)CC(=O)OC)C(=O)COCC(CC(F)(F)F)(CC(F)(F)F)CC(F)(F)F.

What is the InChIKey of methyl 2-[[2-[[2-[[2-[bis[2-[bis(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-[2-[4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butoxy]acetyl]amino]acetyl]-[2-[bis(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]amino]acetyl]-(2-methoxy-2-oxoethyl)amino]acetate?

The InChIKey is PECTVZOYBVQBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H62F9N7O24/c1-78-35(70)15-59(16-36(71)79-2)30(65)9-56(10-31(66)60(17-37(72)80-3)18-38(73)81-4)28(63)13-58(34(69)23-86-27-43(24-44(47,48)49,25-45(50,51)52)26-46(53,54)55)14-29(64)57(11-32(67)61(19-39(74)82-5)20-40(75)83-6)12-33(68)62(21-41(76)84-7)22-42(77)85-8/h9-27H2,1-8H3.

What are the key properties of methyl 2-[[2-[[2-[[2-[bis[2-[bis(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-[2-[4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butoxy]acetyl]amino]acetyl]-[2-[bis(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]amino]acetyl]-(2-methoxy-2-oxoethyl)amino]acetate?

methyl 2-[[2-[[2-[[2-[bis[2-[bis(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-[2-[4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butoxy]acetyl]amino]acetyl]-[2-[bis(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]amino]acetyl]-(2-methoxy-2-oxoethyl)amino]acetate has a molecular weight of 1268.01 g/mol, XLogP of -2.97, 35 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[[2-[[2-[[2-[bis[2-[bis(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-[2-[4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butoxy]acetyl]amino]acetyl]-[2-[bis(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]amino]acetyl]-(2-methoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 58275050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).