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

C14H26N2O3 — CID 55208263

IUPACmethyl 3-[ethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoate
SMILESC=C(C)CN(CC)C(=O)CN(CC)CCC(=O)OC
InChIInChI=1S/C14H26N2O3/c1-6-15(9-8-14(18)19-5)11-13(17)16(7-2)10-12(3)4/h3,6-11H2,1-2,4-5H3
InChIKeyGHQAMDLZVOCLBV-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.30
Rot. Bonds9

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

methyl 3-[ethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoate (PubChem CID 55208263) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is methyl 3-[ethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoate
PubChem CID55208263
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Namemethyl 3-[ethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoate
SMILESC=C(C)CN(CC)C(=O)CN(CC)CCC(=O)OC
InChIInChI=1S/C14H26N2O3/c1-6-15(9-8-14(18)19-5)11-13(17)16(7-2)10-12(3)4/h3,6-11H2,1-2,4-5H3
InChIKeyGHQAMDLZVOCLBV-UHFFFAOYSA-N
XLogP1.30
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.30
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-[ethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoate?
The IUPAC name of methyl 3-[ethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoate (CID 55208263) is methyl 3-[ethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoate.
What is the SMILES notation for methyl 3-[ethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoate?
The canonical SMILES for methyl 3-[ethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoate is C=C(C)CN(CC)C(=O)CN(CC)CCC(=O)OC.
What is the InChIKey of methyl 3-[ethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoate?
The InChIKey is GHQAMDLZVOCLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-6-15(9-8-14(18)19-5)11-13(17)16(7-2)10-12(3)4/h3,6-11H2,1-2,4-5H3.
What are the key properties of methyl 3-[ethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoate?
methyl 3-[ethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoate has a molecular weight of 270.37 g/mol, XLogP of 1.30, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoate is sourced from PubChem (CID 55208263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).