2-[[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethyl]carbamoylamino]ethyl prop-2-enoate

C14H24N2O6 — CID 20659245

IUPAC2-[[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethyl]carbamoylamino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)NCC(=O)OC(C)OCC(C)C
InChIInChI=1S/C14H24N2O6/c1-5-12(17)20-7-6-15-14(19)16-8-13(18)22-11(4)21-9-10(2)3/h5,10-11H,1,6-9H2,2-4H3,(H2,15,16,19)
InChIKeyDTTGKTPXMSPSQI-UHFFFAOYSA-N
MW316.35 g/mol
LogP0.58
Rot. Bonds10

About 2-[[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethyl]carbamoylamino]ethyl prop-2-enoate

2-[[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethyl]carbamoylamino]ethyl prop-2-enoate (PubChem CID 20659245) has the molecular formula C14H24N2O6 and a molecular weight of 316.35 g/mol. Its IUPAC name is 2-[[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethyl]carbamoylamino]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethyl]carbamoylamino]ethyl prop-2-enoate
PubChem CID20659245
Molecular FormulaC14H24N2O6
Molecular Weight316.35 g/mol
Exact Mass316.16
IUPAC Name2-[[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethyl]carbamoylamino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)NCC(=O)OC(C)OCC(C)C
InChIInChI=1S/C14H24N2O6/c1-5-12(17)20-7-6-15-14(19)16-8-13(18)22-11(4)21-9-10(2)3/h5,10-11H,1,6-9H2,2-4H3,(H2,15,16,19)
InChIKeyDTTGKTPXMSPSQI-UHFFFAOYSA-N
XLogP0.58
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

Analyze 2-[[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethyl]carbamoylamino]ethyl prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethyl]carbamoylamino]ethyl prop-2-enoate?
The IUPAC name of 2-[[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethyl]carbamoylamino]ethyl prop-2-enoate (CID 20659245) is 2-[[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethyl]carbamoylamino]ethyl prop-2-enoate.
What is the SMILES notation for 2-[[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethyl]carbamoylamino]ethyl prop-2-enoate?
The canonical SMILES for 2-[[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethyl]carbamoylamino]ethyl prop-2-enoate is C=CC(=O)OCCNC(=O)NCC(=O)OC(C)OCC(C)C.
What is the InChIKey of 2-[[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethyl]carbamoylamino]ethyl prop-2-enoate?
The InChIKey is DTTGKTPXMSPSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O6/c1-5-12(17)20-7-6-15-14(19)16-8-13(18)22-11(4)21-9-10(2)3/h5,10-11H,1,6-9H2,2-4H3,(H2,15,16,19).
What are the key properties of 2-[[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethyl]carbamoylamino]ethyl prop-2-enoate?
2-[[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethyl]carbamoylamino]ethyl prop-2-enoate has a molecular weight of 316.35 g/mol, XLogP of 0.58, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethyl]carbamoylamino]ethyl prop-2-enoate is sourced from PubChem (CID 20659245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).