2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl 3-[2-[[3-(2-methoxypropoxy)-3-oxopropanoyl]amino]ethylamino]-3-oxopropanoate

C24H34N2O10 — CID 59782543

About 2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl 3-[2-[[3-(2-methoxypropoxy)-3-oxopropanoyl]amino]ethylamino]-3-oxopropanoate

2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl 3-[2-[[3-(2-methoxypropoxy)-3-oxopropanoyl]amino]ethylamino]-3-oxopropanoate (PubChem CID 59782543) has the molecular formula C24H34N2O10 and a molecular weight of 510.54 g/mol. Its IUPAC name is 2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl 3-[2-[[3-(2-methoxypropoxy)-3-oxopropanoyl]amino]ethylamino]-3-oxopropanoate.

Molecular Properties

• Compound Name: 2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl 3-[2-[[3-(2-methoxypropoxy)-3-oxopropanoyl]amino]ethylamino]-3-oxopropanoate
• PubChem CID: 59782543
• Molecular Formula: C24H34N2O10
• Molecular Weight: 510.54 g/mol
• Exact Mass: 510.22
• IUPAC Name: 2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl 3-[2-[[3-(2-methoxypropoxy)-3-oxopropanoyl]amino]ethylamino]-3-oxopropanoate
• SMILES: COC(C)COC(=O)CC(=O)NCCNC(=O)CC(=O)OCCOc1ccc(C(=O)C(C)(C)O)cc1
• InChI: InChI=1S/C24H34N2O10/c1-16(33-4)15-36-22(30)14-20(28)26-10-9-25-19(27)13-21(29)35-12-11-34-18-7-5-17(6-8-18)23(31)24(2,3)32/h5-8,16,32H,9-15H2,1-4H3,(H,25,27)(H,26,28)
• InChIKey: CGIVTIOPSOCJBL-UHFFFAOYSA-N
• XLogP: 0.15
• TPSA: 166.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 16
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.54
LogP ≤ 5	0.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl 3-[2-[[3-(2-methoxypropoxy)-3-oxopropanoyl]amino]ethylamino]-3-oxopropanoate?

The IUPAC name of 2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl 3-[2-[[3-(2-methoxypropoxy)-3-oxopropanoyl]amino]ethylamino]-3-oxopropanoate (CID 59782543) is 2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl 3-[2-[[3-(2-methoxypropoxy)-3-oxopropanoyl]amino]ethylamino]-3-oxopropanoate.

What is the SMILES notation for 2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl 3-[2-[[3-(2-methoxypropoxy)-3-oxopropanoyl]amino]ethylamino]-3-oxopropanoate?

The canonical SMILES for 2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl 3-[2-[[3-(2-methoxypropoxy)-3-oxopropanoyl]amino]ethylamino]-3-oxopropanoate is COC(C)COC(=O)CC(=O)NCCNC(=O)CC(=O)OCCOc1ccc(C(=O)C(C)(C)O)cc1.

What is the InChIKey of 2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl 3-[2-[[3-(2-methoxypropoxy)-3-oxopropanoyl]amino]ethylamino]-3-oxopropanoate?

The InChIKey is CGIVTIOPSOCJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O10/c1-16(33-4)15-36-22(30)14-20(28)26-10-9-25-19(27)13-21(29)35-12-11-34-18-7-5-17(6-8-18)23(31)24(2,3)32/h5-8,16,32H,9-15H2,1-4H3,(H,25,27)(H,26,28).

What are the key properties of 2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl 3-[2-[[3-(2-methoxypropoxy)-3-oxopropanoyl]amino]ethylamino]-3-oxopropanoate?

2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl 3-[2-[[3-(2-methoxypropoxy)-3-oxopropanoyl]amino]ethylamino]-3-oxopropanoate has a molecular weight of 510.54 g/mol, XLogP of 0.15, 16 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl 3-[2-[[3-(2-methoxypropoxy)-3-oxopropanoyl]amino]ethylamino]-3-oxopropanoate is sourced from PubChem (CID 59782543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).