ethyl 4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]butanoate

C14H26N2O3 — CID 60687675

IUPACethyl 4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]butanoate
SMILESC=C(C)CN(CC)C(=O)CNCCCC(=O)OCC
InChIInChI=1S/C14H26N2O3/c1-5-16(11-12(3)4)13(17)10-15-9-7-8-14(18)19-6-2/h15H,3,5-11H2,1-2,4H3
InChIKeyYXRSHZYQUDTGGH-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.34
Rot. Bonds10

About ethyl 4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]butanoate

ethyl 4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]butanoate (PubChem CID 60687675) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is ethyl 4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]butanoate.

Molecular Properties

Compound Nameethyl 4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]butanoate
PubChem CID60687675
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nameethyl 4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]butanoate
SMILESC=C(C)CN(CC)C(=O)CNCCCC(=O)OCC
InChIInChI=1S/C14H26N2O3/c1-5-16(11-12(3)4)13(17)10-15-9-7-8-14(18)19-6-2/h15H,3,5-11H2,1-2,4H3
InChIKeyYXRSHZYQUDTGGH-UHFFFAOYSA-N
XLogP1.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]butanoate?
The IUPAC name of ethyl 4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]butanoate (CID 60687675) is ethyl 4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]butanoate.
What is the SMILES notation for ethyl 4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]butanoate?
The canonical SMILES for ethyl 4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]butanoate is C=C(C)CN(CC)C(=O)CNCCCC(=O)OCC.
What is the InChIKey of ethyl 4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]butanoate?
The InChIKey is YXRSHZYQUDTGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-16(11-12(3)4)13(17)10-15-9-7-8-14(18)19-6-2/h15H,3,5-11H2,1-2,4H3.
What are the key properties of ethyl 4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]butanoate?
ethyl 4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]butanoate has a molecular weight of 270.37 g/mol, XLogP of 1.34, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]butanoate is sourced from PubChem (CID 60687675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).