ethyl 4-[2-[ethyl(propyl)amino]ethylamino]-4-oxobutanoate

C13H26N2O3 — CID 113247689

IUPACethyl 4-[2-[ethyl(propyl)amino]ethylamino]-4-oxobutanoate
SMILESCCCN(CC)CCNC(=O)CCC(=O)OCC
InChIInChI=1S/C13H26N2O3/c1-4-10-15(5-2)11-9-14-12(16)7-8-13(17)18-6-3/h4-11H2,1-3H3,(H,14,16)
InChIKeyMCFXRCCFALGYHC-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.18
Rot. Bonds10

About ethyl 4-[2-[ethyl(propyl)amino]ethylamino]-4-oxobutanoate

ethyl 4-[2-[ethyl(propyl)amino]ethylamino]-4-oxobutanoate (PubChem CID 113247689) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is ethyl 4-[2-[ethyl(propyl)amino]ethylamino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[2-[ethyl(propyl)amino]ethylamino]-4-oxobutanoate
PubChem CID113247689
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Nameethyl 4-[2-[ethyl(propyl)amino]ethylamino]-4-oxobutanoate
SMILESCCCN(CC)CCNC(=O)CCC(=O)OCC
InChIInChI=1S/C13H26N2O3/c1-4-10-15(5-2)11-9-14-12(16)7-8-13(17)18-6-3/h4-11H2,1-3H3,(H,14,16)
InChIKeyMCFXRCCFALGYHC-UHFFFAOYSA-N
XLogP1.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[3-(diethylamino)propylamino]-4-oxobutanoate
CID 60638277
ethyl 4-oxo-4-[[3-oxo-3-(propylamino)propyl]amino]butanoate
CID 61149555
4-amino-N-[2-[ethyl(propyl)amino]ethyl]-4-methylpentanamide
CID 103814940
ethyl 3-[(3-ethoxy-3-oxopropyl)-propylamino]propanoate
CID 11368942
3-amino-N-[2-[ethyl(propyl)amino]ethyl]-3-methylbutanamide
CID 103814926
ethyl 2-[[2-oxo-2-(propylamino)ethyl]-propylamino]acetate
CID 60965392
ethyl 4-oxo-4-(pent-3-ynylamino)butanoate
CID 104581218
ethyl 2-[2-[ethyl(propyl)amino]ethylcarbamoyl]-3,3-dimethylbutanoate
CID 104917991
4-amino-3-ethoxy-N-[2-[ethyl(propyl)amino]ethyl]butanamide
CID 114227632
ethyl 4-(2-methylsulfanylethylamino)-4-oxobutanoate
CID 60637595
2-cyano-N-[2-[ethyl(propyl)amino]ethyl]acetamide
CID 104919958
2-(carbamoylamino)-N-[2-(diethylamino)ethyl]acetamide
CID 127518867

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[ethyl(propyl)amino]ethylamino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[2-[ethyl(propyl)amino]ethylamino]-4-oxobutanoate (CID 113247689) is ethyl 4-[2-[ethyl(propyl)amino]ethylamino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[2-[ethyl(propyl)amino]ethylamino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[2-[ethyl(propyl)amino]ethylamino]-4-oxobutanoate is CCCN(CC)CCNC(=O)CCC(=O)OCC.
What is the InChIKey of ethyl 4-[2-[ethyl(propyl)amino]ethylamino]-4-oxobutanoate?
The InChIKey is MCFXRCCFALGYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-4-10-15(5-2)11-9-14-12(16)7-8-13(17)18-6-3/h4-11H2,1-3H3,(H,14,16).
What are the key properties of ethyl 4-[2-[ethyl(propyl)amino]ethylamino]-4-oxobutanoate?
ethyl 4-[2-[ethyl(propyl)amino]ethylamino]-4-oxobutanoate has a molecular weight of 258.36 g/mol, XLogP of 1.18, 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(propyl)amino]ethylamino]-4-oxobutanoate is sourced from PubChem (CID 113247689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).