ethyl 5-(4-ethylanilino)-5-oxopentanoate

C15H21NO3 — CID 91711023

IUPACethyl 5-(4-ethylanilino)-5-oxopentanoate
SMILESCCOC(=O)CCCC(=O)Nc1ccc(CC)cc1
InChIInChI=1S/C15H21NO3/c1-3-12-8-10-13(11-9-12)16-14(17)6-5-7-15(18)19-4-2/h8-11H,3-7H2,1-2H3,(H,16,17)
InChIKeyCAYFWSOQODAHNN-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.92
Rot. Bonds7

About ethyl 5-(4-ethylanilino)-5-oxopentanoate

ethyl 5-(4-ethylanilino)-5-oxopentanoate (PubChem CID 91711023) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl 5-(4-ethylanilino)-5-oxopentanoate.

Molecular Properties

Compound Nameethyl 5-(4-ethylanilino)-5-oxopentanoate
PubChem CID91711023
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nameethyl 5-(4-ethylanilino)-5-oxopentanoate
SMILESCCOC(=O)CCCC(=O)Nc1ccc(CC)cc1
InChIInChI=1S/C15H21NO3/c1-3-12-8-10-13(11-9-12)16-14(17)6-5-7-15(18)19-4-2/h8-11H,3-7H2,1-2H3,(H,16,17)
InChIKeyCAYFWSOQODAHNN-UHFFFAOYSA-N
XLogP2.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(4-ethylanilino)-4-oxobutanoate
CID 60636835
octyl 5-(4-ethylanilino)-5-oxopentanoate
CID 91711030
ethyl 5-[4-[(methoxycarbonylamino)methyl]anilino]-5-oxopentanoate
CID 91279450
4-(4-ethylphenoxy)-N-(4-ethylphenyl)butanamide
CID 19173503
ethyl 4-[[3-(4-ethylanilino)-3-oxopropanoyl]amino]benzoate
CID 108954068
[2-(4-ethylanilino)-2-oxoethyl] 6-(carbamoylamino)hexanoate
CID 8859164
ethyl 4-(4-methylsulfanylanilino)-4-oxobutanoate
CID 9179743
[4-(5-bromopentanoylamino)phenyl]methyl 5-bromopentanoate
CID 15428588
ethyl 4-[4-(3-methylbutanoylamino)anilino]-4-oxobutanoate
CID 17193984
methyl 10-[4-[(10-methoxy-10-oxodecanoyl)amino]anilino]-10-oxodecanoate
CID 3310554
ethyl 4-(hexadecanoylamino)benzoate
CID 15925750
ethyl 4-(4-ethylsulfonylanilino)-4-oxobutanoate
CID 30179824

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-ethylanilino)-5-oxopentanoate?
The IUPAC name of ethyl 5-(4-ethylanilino)-5-oxopentanoate (CID 91711023) is ethyl 5-(4-ethylanilino)-5-oxopentanoate.
What is the SMILES notation for ethyl 5-(4-ethylanilino)-5-oxopentanoate?
The canonical SMILES for ethyl 5-(4-ethylanilino)-5-oxopentanoate is CCOC(=O)CCCC(=O)Nc1ccc(CC)cc1.
What is the InChIKey of ethyl 5-(4-ethylanilino)-5-oxopentanoate?
The InChIKey is CAYFWSOQODAHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-12-8-10-13(11-9-12)16-14(17)6-5-7-15(18)19-4-2/h8-11H,3-7H2,1-2H3,(H,16,17).
What are the key properties of ethyl 5-(4-ethylanilino)-5-oxopentanoate?
ethyl 5-(4-ethylanilino)-5-oxopentanoate has a molecular weight of 263.34 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-ethylanilino)-5-oxopentanoate is sourced from PubChem (CID 91711023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).