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

C14H24N2O6 — CID 58882871

IUPAC2-[2-[3-[2-(methylamino)ethylamino]-3-oxopropanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCCOC(=O)CC(=O)NCCNC
InChIInChI=1S/C14H24N2O6/c1-11(2)14(19)22-9-7-20-6-8-21-13(18)10-12(17)16-5-4-15-3/h15H,1,4-10H2,2-3H3,(H,16,17)
InChIKeyHHPXUGJFSZHBNN-UHFFFAOYSA-N
MW316.35 g/mol
LogP-0.61
Rot. Bonds12

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

2-[2-[3-[2-(methylamino)ethylamino]-3-oxopropanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate (PubChem CID 58882871) has the molecular formula C14H24N2O6 and a molecular weight of 316.35 g/mol. Its IUPAC name is 2-[2-[3-[2-(methylamino)ethylamino]-3-oxopropanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[2-[3-[2-(methylamino)ethylamino]-3-oxopropanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate
PubChem CID58882871
Molecular FormulaC14H24N2O6
Molecular Weight316.35 g/mol
Exact Mass316.16
IUPAC Name2-[2-[3-[2-(methylamino)ethylamino]-3-oxopropanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCCOC(=O)CC(=O)NCCNC
InChIInChI=1S/C14H24N2O6/c1-11(2)14(19)22-9-7-20-6-8-21-13(18)10-12(17)16-5-4-15-3/h15H,1,4-10H2,2-3H3,(H,16,17)
InChIKeyHHPXUGJFSZHBNN-UHFFFAOYSA-N
XLogP-0.61
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[2-(methylamino)ethylamino]-3-oxopropanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[2-[3-[2-(methylamino)ethylamino]-3-oxopropanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate (CID 58882871) is 2-[2-[3-[2-(methylamino)ethylamino]-3-oxopropanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[2-[3-[2-(methylamino)ethylamino]-3-oxopropanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[2-[3-[2-(methylamino)ethylamino]-3-oxopropanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOCCOC(=O)CC(=O)NCCNC.
What is the InChIKey of 2-[2-[3-[2-(methylamino)ethylamino]-3-oxopropanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate?
The InChIKey is HHPXUGJFSZHBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O6/c1-11(2)14(19)22-9-7-20-6-8-21-13(18)10-12(17)16-5-4-15-3/h15H,1,4-10H2,2-3H3,(H,16,17).
What are the key properties of 2-[2-[3-[2-(methylamino)ethylamino]-3-oxopropanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate?
2-[2-[3-[2-(methylamino)ethylamino]-3-oxopropanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 316.35 g/mol, XLogP of -0.61, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[2-(methylamino)ethylamino]-3-oxopropanoyl]oxyethoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 58882871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).