2-[2-[3-[2-[[3-(2-methoxyethoxy)-3-oxopropanoyl]amino]ethylamino]-3-oxopropanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate

C19H30N2O10 — CID 58882694

About 2-[2-[3-[2-[[3-(2-methoxyethoxy)-3-oxopropanoyl]amino]ethylamino]-3-oxopropanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate

2-[2-[3-[2-[[3-(2-methoxyethoxy)-3-oxopropanoyl]amino]ethylamino]-3-oxopropanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate (PubChem CID 58882694) has the molecular formula C19H30N2O10 and a molecular weight of 446.45 g/mol. Its IUPAC name is 2-[2-[3-[2-[[3-(2-methoxyethoxy)-3-oxopropanoyl]amino]ethylamino]-3-oxopropanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 2-[2-[3-[2-[[3-(2-methoxyethoxy)-3-oxopropanoyl]amino]ethylamino]-3-oxopropanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate
• PubChem CID: 58882694
• Molecular Formula: C19H30N2O10
• Molecular Weight: 446.45 g/mol
• Exact Mass: 446.19
• IUPAC Name: 2-[2-[3-[2-[[3-(2-methoxyethoxy)-3-oxopropanoyl]amino]ethylamino]-3-oxopropanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OCCOCCOC(=O)CC(=O)NCCNC(=O)CC(=O)OCCOC
• InChI: InChI=1S/C19H30N2O10/c1-14(2)19(26)31-11-8-28-7-10-30-18(25)13-16(23)21-5-4-20-15(22)12-17(24)29-9-6-27-3/h1,4-13H2,2-3H3,(H,20,22)(H,21,23)
• InChIKey: RDEIZUCLOJHVFD-UHFFFAOYSA-N
• XLogP: -1.13
• TPSA: 155.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 17
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.45
LogP ≤ 5	-1.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[2-[[3-(2-methoxyethoxy)-3-oxopropanoyl]amino]ethylamino]-3-oxopropanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate?

The IUPAC name of 2-[2-[3-[2-[[3-(2-methoxyethoxy)-3-oxopropanoyl]amino]ethylamino]-3-oxopropanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate (CID 58882694) is 2-[2-[3-[2-[[3-(2-methoxyethoxy)-3-oxopropanoyl]amino]ethylamino]-3-oxopropanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate.

What is the SMILES notation for 2-[2-[3-[2-[[3-(2-methoxyethoxy)-3-oxopropanoyl]amino]ethylamino]-3-oxopropanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate?

The canonical SMILES for 2-[2-[3-[2-[[3-(2-methoxyethoxy)-3-oxopropanoyl]amino]ethylamino]-3-oxopropanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOCCOC(=O)CC(=O)NCCNC(=O)CC(=O)OCCOC.

What is the InChIKey of 2-[2-[3-[2-[[3-(2-methoxyethoxy)-3-oxopropanoyl]amino]ethylamino]-3-oxopropanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate?

The InChIKey is RDEIZUCLOJHVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O10/c1-14(2)19(26)31-11-8-28-7-10-30-18(25)13-16(23)21-5-4-20-15(22)12-17(24)29-9-6-27-3/h1,4-13H2,2-3H3,(H,20,22)(H,21,23).

What are the key properties of 2-[2-[3-[2-[[3-(2-methoxyethoxy)-3-oxopropanoyl]amino]ethylamino]-3-oxopropanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate?

2-[2-[3-[2-[[3-(2-methoxyethoxy)-3-oxopropanoyl]amino]ethylamino]-3-oxopropanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 446.45 g/mol, XLogP of -1.13, 17 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[3-[2-[[3-(2-methoxyethoxy)-3-oxopropanoyl]amino]ethylamino]-3-oxopropanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 58882694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).