methyl 3-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate

C14H26N2O3 — CID 60964697

IUPACmethyl 3-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate
SMILESC=C(C)CN(CC)C(=O)CN(C)CC(C)C(=O)OC
InChIInChI=1S/C14H26N2O3/c1-7-16(8-11(2)3)13(17)10-15(5)9-12(4)14(18)19-6/h12H,2,7-10H2,1,3-6H3
InChIKeyWAQLQEOENDIOGK-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.15
Rot. Bonds8

About methyl 3-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate

methyl 3-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate (PubChem CID 60964697) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is methyl 3-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate
PubChem CID60964697
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Namemethyl 3-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate
SMILESC=C(C)CN(CC)C(=O)CN(C)CC(C)C(=O)OC
InChIInChI=1S/C14H26N2O3/c1-7-16(8-11(2)3)13(17)10-15(5)9-12(4)14(18)19-6/h12H,2,7-10H2,1,3-6H3
InChIKeyWAQLQEOENDIOGK-UHFFFAOYSA-N
XLogP1.15
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate?
The IUPAC name of methyl 3-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate (CID 60964697) is methyl 3-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate is C=C(C)CN(CC)C(=O)CN(C)CC(C)C(=O)OC.
What is the InChIKey of methyl 3-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate?
The InChIKey is WAQLQEOENDIOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-7-16(8-11(2)3)13(17)10-15(5)9-12(4)14(18)19-6/h12H,2,7-10H2,1,3-6H3.
What are the key properties of methyl 3-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate?
methyl 3-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate has a molecular weight of 270.37 g/mol, XLogP of 1.15, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate is sourced from PubChem (CID 60964697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).