dimethyl 2-[[2-[2-[2-[(1,4-dimethoxy-1,4-dioxobutan-2-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]butanedioate;methyl 2-[2-[bis(2-methoxy-2-oxoethyl)carbamoyloxy]ethoxycarbonyl-(2-methoxy-2-oxoethyl)amino]acetate

C34H52N4O24 — CID 90855846

About dimethyl 2-[[2-[2-[2-[(1,4-dimethoxy-1,4-dioxobutan-2-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]butanedioate;methyl 2-[2-[bis(2-methoxy-2-oxoethyl)carbamoyloxy]ethoxycarbonyl-(2-methoxy-2-oxoethyl)amino]acetate

dimethyl 2-[[2-[2-[2-[(1,4-dimethoxy-1,4-dioxobutan-2-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]butanedioate;methyl 2-[2-[bis(2-methoxy-2-oxoethyl)carbamoyloxy]ethoxycarbonyl-(2-methoxy-2-oxoethyl)amino]acetate (PubChem CID 90855846) has the molecular formula C34H52N4O24 and a molecular weight of 900.79 g/mol. Its IUPAC name is dimethyl 2-[[2-[2-[2-[(1,4-dimethoxy-1,4-dioxobutan-2-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]butanedioate;methyl 2-[2-[bis(2-methoxy-2-oxoethyl)carbamoyloxy]ethoxycarbonyl-(2-methoxy-2-oxoethyl)amino]acetate.

Molecular Properties

• Compound Name: dimethyl 2-[[2-[2-[2-[(1,4-dimethoxy-1,4-dioxobutan-2-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]butanedioate;methyl 2-[2-[bis(2-methoxy-2-oxoethyl)carbamoyloxy]ethoxycarbonyl-(2-methoxy-2-oxoethyl)amino]acetate
• PubChem CID: 90855846
• Molecular Formula: C34H52N4O24
• Molecular Weight: 900.79 g/mol
• Exact Mass: 900.30
• IUPAC Name: dimethyl 2-[[2-[2-[2-[(1,4-dimethoxy-1,4-dioxobutan-2-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]butanedioate;methyl 2-[2-[bis(2-methoxy-2-oxoethyl)carbamoyloxy]ethoxycarbonyl-(2-methoxy-2-oxoethyl)amino]acetate
• SMILES: COC(=O)CC(NC(=O)COCCOCC(=O)NC(CC(=O)OC)C(=O)OC)C(=O)OC.COC(=O)CN(CC(=O)OC)C(=O)OCCOC(=O)N(CC(=O)OC)CC(=O)OC
• InChI: InChI=1S/C18H28N2O12.C16H24N2O12/c1-27-15(23)7-11(17(25)29-3)19-13(21)9-31-5-6-32-10-14(22)20-12(18(26)30-4)8-16(24)28-2;1-25-11(19)7-17(8-12(20)26-2)15(23)29-5-6-30-16(24)18(9-13(21)27-3)10-14(22)28-4/h11-12H,5-10H2,1-4H3,(H,19,21)(H,20,22);5-10H2,1-4H3
• InChIKey: CZLRHPUBMOIPRA-UHFFFAOYSA-N
• XLogP: -3.98
• TPSA: 346.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Rotatable Bonds: 26
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	900.79
LogP ≤ 5	-3.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	24

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 dimethyl 2-[[2-[2-[2-[(1,4-dimethoxy-1,4-dioxobutan-2-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]butanedioate;methyl 2-[2-[bis(2-methoxy-2-oxoethyl)carbamoyloxy]ethoxycarbonyl-(2-methoxy-2-oxoethyl)amino]acetate?

The IUPAC name of dimethyl 2-[[2-[2-[2-[(1,4-dimethoxy-1,4-dioxobutan-2-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]butanedioate;methyl 2-[2-[bis(2-methoxy-2-oxoethyl)carbamoyloxy]ethoxycarbonyl-(2-methoxy-2-oxoethyl)amino]acetate (CID 90855846) is dimethyl 2-[[2-[2-[2-[(1,4-dimethoxy-1,4-dioxobutan-2-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]butanedioate;methyl 2-[2-[bis(2-methoxy-2-oxoethyl)carbamoyloxy]ethoxycarbonyl-(2-methoxy-2-oxoethyl)amino]acetate.

What is the SMILES notation for dimethyl 2-[[2-[2-[2-[(1,4-dimethoxy-1,4-dioxobutan-2-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]butanedioate;methyl 2-[2-[bis(2-methoxy-2-oxoethyl)carbamoyloxy]ethoxycarbonyl-(2-methoxy-2-oxoethyl)amino]acetate?

The canonical SMILES for dimethyl 2-[[2-[2-[2-[(1,4-dimethoxy-1,4-dioxobutan-2-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]butanedioate;methyl 2-[2-[bis(2-methoxy-2-oxoethyl)carbamoyloxy]ethoxycarbonyl-(2-methoxy-2-oxoethyl)amino]acetate is COC(=O)CC(NC(=O)COCCOCC(=O)NC(CC(=O)OC)C(=O)OC)C(=O)OC.COC(=O)CN(CC(=O)OC)C(=O)OCCOC(=O)N(CC(=O)OC)CC(=O)OC.

What is the InChIKey of dimethyl 2-[[2-[2-[2-[(1,4-dimethoxy-1,4-dioxobutan-2-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]butanedioate;methyl 2-[2-[bis(2-methoxy-2-oxoethyl)carbamoyloxy]ethoxycarbonyl-(2-methoxy-2-oxoethyl)amino]acetate?

The InChIKey is CZLRHPUBMOIPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O12.C16H24N2O12/c1-27-15(23)7-11(17(25)29-3)19-13(21)9-31-5-6-32-10-14(22)20-12(18(26)30-4)8-16(24)28-2;1-25-11(19)7-17(8-12(20)26-2)15(23)29-5-6-30-16(24)18(9-13(21)27-3)10-14(22)28-4/h11-12H,5-10H2,1-4H3,(H,19,21)(H,20,22);5-10H2,1-4H3.

What are the key properties of dimethyl 2-[[2-[2-[2-[(1,4-dimethoxy-1,4-dioxobutan-2-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]butanedioate;methyl 2-[2-[bis(2-methoxy-2-oxoethyl)carbamoyloxy]ethoxycarbonyl-(2-methoxy-2-oxoethyl)amino]acetate?

dimethyl 2-[[2-[2-[2-[(1,4-dimethoxy-1,4-dioxobutan-2-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]butanedioate;methyl 2-[2-[bis(2-methoxy-2-oxoethyl)carbamoyloxy]ethoxycarbonyl-(2-methoxy-2-oxoethyl)amino]acetate has a molecular weight of 900.79 g/mol, XLogP of -3.98, 26 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for dimethyl 2-[[2-[2-[2-[(1,4-dimethoxy-1,4-dioxobutan-2-yl)amino]-2-oxoethoxy]ethoxy]acetyl]amino]butanedioate;methyl 2-[2-[bis(2-methoxy-2-oxoethyl)carbamoyloxy]ethoxycarbonyl-(2-methoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 90855846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).