ethyl (E)-4-methyl-5-(N-methylanilino)pent-4-enoate

C15H21NO2 — CID 166970563

IUPACethyl (E)-4-methyl-5-(N-methylanilino)pent-4-enoate
SMILESCCOC(=O)CC/C(C)=C/N(C)c1ccccc1
InChIInChI=1S/C15H21NO2/c1-4-18-15(17)11-10-13(2)12-16(3)14-8-6-5-7-9-14/h5-9,12H,4,10-11H2,1-3H3/b13-12+
InChIKeyHTLSJBOOCWMDEK-OUKQBFOZSA-N
MW247.34 g/mol
LogP3.37
Rot. Bonds6

About ethyl (E)-4-methyl-5-(N-methylanilino)pent-4-enoate

ethyl (E)-4-methyl-5-(N-methylanilino)pent-4-enoate (PubChem CID 166970563) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is ethyl (E)-4-methyl-5-(N-methylanilino)pent-4-enoate.

Molecular Properties

Compound Nameethyl (E)-4-methyl-5-(N-methylanilino)pent-4-enoate
PubChem CID166970563
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Nameethyl (E)-4-methyl-5-(N-methylanilino)pent-4-enoate
SMILESCCOC(=O)CC/C(C)=C/N(C)c1ccccc1
InChIInChI=1S/C15H21NO2/c1-4-18-15(17)11-10-13(2)12-16(3)14-8-6-5-7-9-14/h5-9,12H,4,10-11H2,1-3H3/b13-12+
InChIKeyHTLSJBOOCWMDEK-OUKQBFOZSA-N
XLogP3.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (Z)-2-chloro-3-(N-methylanilino)prop-2-enoate
CID 122216502
ethyl 3-(N-methylanilino)prop-2-enoate
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N,N-dimethylaniline;ethyl 2-aminoacetate
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ethyl 3-(N-(3-ethoxy-3-oxopropyl)anilino)-3-oxopropanoate
CID 146459338
ethyl 5-amino-4-methylpent-4-enoate
CID 174433191
tetradecyl 4-(N-methylanilino)-4-oxobutanoate
CID 91704094
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CID 67333370
ethyl 3-(N-(5-chloropentanoylamino)anilino)-3-oxopropanoate
CID 118453371
ethyl 3-phenoxypropanoate;hydrochloride
CID 172712926
ethyl 3-[3-(N-methylanilino)propylamino]propanoate
CID 43242647
ethyl 3-[4-(N-(4-formylphenyl)anilino)phenyl]propanoate
CID 91744199
ethyl 4-(3-hydroxy-N-methylanilino)-4-oxobutanoate
CID 107734000

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-4-methyl-5-(N-methylanilino)pent-4-enoate?
The IUPAC name of ethyl (E)-4-methyl-5-(N-methylanilino)pent-4-enoate (CID 166970563) is ethyl (E)-4-methyl-5-(N-methylanilino)pent-4-enoate.
What is the SMILES notation for ethyl (E)-4-methyl-5-(N-methylanilino)pent-4-enoate?
The canonical SMILES for ethyl (E)-4-methyl-5-(N-methylanilino)pent-4-enoate is CCOC(=O)CC/C(C)=C/N(C)c1ccccc1.
What is the InChIKey of ethyl (E)-4-methyl-5-(N-methylanilino)pent-4-enoate?
The InChIKey is HTLSJBOOCWMDEK-OUKQBFOZSA-N. The full InChI is InChI=1S/C15H21NO2/c1-4-18-15(17)11-10-13(2)12-16(3)14-8-6-5-7-9-14/h5-9,12H,4,10-11H2,1-3H3/b13-12+.
What are the key properties of ethyl (E)-4-methyl-5-(N-methylanilino)pent-4-enoate?
ethyl (E)-4-methyl-5-(N-methylanilino)pent-4-enoate has a molecular weight of 247.34 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-4-methyl-5-(N-methylanilino)pent-4-enoate is sourced from PubChem (CID 166970563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).