2-(2,2-diethoxyethylcarbamoylamino)ethyl 2-methylprop-2-enoate

C13H24N2O5 — CID 14549805

IUPAC2-(2,2-diethoxyethylcarbamoylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)NCC(OCC)OCC
InChIInChI=1S/C13H24N2O5/c1-5-18-11(19-6-2)9-15-13(17)14-7-8-20-12(16)10(3)4/h11H,3,5-9H2,1-2,4H3,(H2,14,15,17)
InChIKeyHWXGVVNNKKFQPE-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.80
Rot. Bonds10

About 2-(2,2-diethoxyethylcarbamoylamino)ethyl 2-methylprop-2-enoate

2-(2,2-diethoxyethylcarbamoylamino)ethyl 2-methylprop-2-enoate (PubChem CID 14549805) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-(2,2-diethoxyethylcarbamoylamino)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(2,2-diethoxyethylcarbamoylamino)ethyl 2-methylprop-2-enoate
PubChem CID14549805
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Name2-(2,2-diethoxyethylcarbamoylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)NCC(OCC)OCC
InChIInChI=1S/C13H24N2O5/c1-5-18-11(19-6-2)9-15-13(17)14-7-8-20-12(16)10(3)4/h11H,3,5-9H2,1-2,4H3,(H2,14,15,17)
InChIKeyHWXGVVNNKKFQPE-UHFFFAOYSA-N
XLogP0.80
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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-(2,2-diethoxyethylcarbamoylamino)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(2,2-diethoxyethylcarbamoylamino)ethyl 2-methylprop-2-enoate (CID 14549805) is 2-(2,2-diethoxyethylcarbamoylamino)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(2,2-diethoxyethylcarbamoylamino)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(2,2-diethoxyethylcarbamoylamino)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)NCC(OCC)OCC.
What is the InChIKey of 2-(2,2-diethoxyethylcarbamoylamino)ethyl 2-methylprop-2-enoate?
The InChIKey is HWXGVVNNKKFQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-5-18-11(19-6-2)9-15-13(17)14-7-8-20-12(16)10(3)4/h11H,3,5-9H2,1-2,4H3,(H2,14,15,17).
What are the key properties of 2-(2,2-diethoxyethylcarbamoylamino)ethyl 2-methylprop-2-enoate?
2-(2,2-diethoxyethylcarbamoylamino)ethyl 2-methylprop-2-enoate has a molecular weight of 288.34 g/mol, XLogP of 0.80, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diethoxyethylcarbamoylamino)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 14549805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).