2-(diethylcarbamoylamino)ethyl 2-methylprop-2-enoate

C11H20N2O3 — CID 71722587

IUPAC2-(diethylcarbamoylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)N(CC)CC
InChIInChI=1S/C11H20N2O3/c1-5-13(6-2)11(15)12-7-8-16-10(14)9(3)4/h3,5-8H2,1-2,4H3,(H,12,15)
InChIKeyQZYDFAJMHVCXHZ-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.16
Rot. Bonds6

About 2-(diethylcarbamoylamino)ethyl 2-methylprop-2-enoate

2-(diethylcarbamoylamino)ethyl 2-methylprop-2-enoate (PubChem CID 71722587) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(diethylcarbamoylamino)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(diethylcarbamoylamino)ethyl 2-methylprop-2-enoate
PubChem CID71722587
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-(diethylcarbamoylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)N(CC)CC
InChIInChI=1S/C11H20N2O3/c1-5-13(6-2)11(15)12-7-8-16-10(14)9(3)4/h3,5-8H2,1-2,4H3,(H,12,15)
InChIKeyQZYDFAJMHVCXHZ-UHFFFAOYSA-N
XLogP1.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-(diethylcarbamoylamino)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(diethylcarbamoylamino)ethyl 2-methylprop-2-enoate (CID 71722587) is 2-(diethylcarbamoylamino)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(diethylcarbamoylamino)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(diethylcarbamoylamino)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)N(CC)CC.
What is the InChIKey of 2-(diethylcarbamoylamino)ethyl 2-methylprop-2-enoate?
The InChIKey is QZYDFAJMHVCXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-5-13(6-2)11(15)12-7-8-16-10(14)9(3)4/h3,5-8H2,1-2,4H3,(H,12,15).
What are the key properties of 2-(diethylcarbamoylamino)ethyl 2-methylprop-2-enoate?
2-(diethylcarbamoylamino)ethyl 2-methylprop-2-enoate has a molecular weight of 228.29 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylcarbamoylamino)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 71722587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).