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

C15H26N2O6 — CID 20659244

IUPAC2-[[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethyl]carbamoylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)NCC(=O)OC(C)OCC(C)C
InChIInChI=1S/C15H26N2O6/c1-10(2)9-22-12(5)23-13(18)8-17-15(20)16-6-7-21-14(19)11(3)4/h10,12H,3,6-9H2,1-2,4-5H3,(H2,16,17,20)
InChIKeyOBROILJBAQVQBF-UHFFFAOYSA-N
MW330.38 g/mol
LogP0.97
Rot. Bonds10

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

2-[[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethyl]carbamoylamino]ethyl 2-methylprop-2-enoate (PubChem CID 20659244) has the molecular formula C15H26N2O6 and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-[[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethyl]carbamoylamino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethyl]carbamoylamino]ethyl 2-methylprop-2-enoate
PubChem CID20659244
Molecular FormulaC15H26N2O6
Molecular Weight330.38 g/mol
Exact Mass330.18
IUPAC Name2-[[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethyl]carbamoylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)NCC(=O)OC(C)OCC(C)C
InChIInChI=1S/C15H26N2O6/c1-10(2)9-22-12(5)23-13(18)8-17-15(20)16-6-7-21-14(19)11(3)4/h10,12H,3,6-9H2,1-2,4-5H3,(H2,16,17,20)
InChIKeyOBROILJBAQVQBF-UHFFFAOYSA-N
XLogP0.97
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 50.97
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'}

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Related Compounds

N,N'-bis-(2-methacryloyloxyethyl)-urea
CID 15208782
2-(2,2-Diethoxyethylcarbamoylamino)ethyl 2-methylprop-2-enoate
CID 14549805
2-(4,4-Diethoxybutylcarbamoylamino)ethyl 2-methylprop-2-enoate
CID 14549806
2-(Propylcarbamoylamino)ethyl 2-methylprop-2-enoate
CID 18668376
2-(Methylcarbamoylamino)ethyl 2-methylprop-2-enoate
CID 20228038
2-[[2-(1-Methoxy-2-methylpropan-2-yl)oxy-2-oxoethyl]carbamoylamino]ethyl 2-methylprop-2-enoate
CID 20643827
2-[[2-(1-Methoxypropan-2-yloxy)-2-oxoethyl]carbamoylamino]ethyl 2-methylprop-2-enoate
CID 20643837
2-[[1-(1-Methoxyethoxy)-1-oxopropan-2-yl]carbamoylamino]ethyl 2-methylprop-2-enoate
CID 20659228
1-Methoxyethyl 2-(2-prop-2-enoyloxyethylcarbamoylamino)propanoate
CID 20659229
2-[[2-(1-Ethoxyethoxy)-2-oxoethyl]carbamoylamino]ethyl 2-methylprop-2-enoate
CID 20659238
2-[[2-(1-Ethoxyethoxy)-2-oxoethyl]carbamoylamino]ethyl prop-2-enoate
CID 20659239
2-[[2-[1-(2-Methylpropoxy)ethoxy]-2-oxoethyl]carbamoylamino]ethyl prop-2-enoate
CID 20659245

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethyl]carbamoylamino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethyl]carbamoylamino]ethyl 2-methylprop-2-enoate (CID 20659244) is 2-[[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethyl]carbamoylamino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethyl]carbamoylamino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethyl]carbamoylamino]ethyl 2-methylprop-2-enoate is C=C(C)C(=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 2-methylprop-2-enoate?
The InChIKey is OBROILJBAQVQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O6/c1-10(2)9-22-12(5)23-13(18)8-17-15(20)16-6-7-21-14(19)11(3)4/h10,12H,3,6-9H2,1-2,4-5H3,(H2,16,17,20).
What are the key properties of 2-[[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethyl]carbamoylamino]ethyl 2-methylprop-2-enoate?
2-[[2-[1-(2-methylpropoxy)ethoxy]-2-oxoethyl]carbamoylamino]ethyl 2-methylprop-2-enoate has a molecular weight of 330.38 g/mol, XLogP of 0.97, 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 2-methylprop-2-enoate is sourced from PubChem (CID 20659244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).