ethenyl 3-(N-ethylanilino)-2-methylpropanoate

C14H19NO2 — CID 67266784

IUPACethenyl 3-(N-ethylanilino)-2-methylpropanoate
SMILESC=COC(=O)C(C)CN(CC)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-4-15(13-9-7-6-8-10-13)11-12(3)14(16)17-5-2/h5-10,12H,2,4,11H2,1,3H3
InChIKeyWNYCCTWPSPROCV-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.84
Rot. Bonds6

About ethenyl 3-(N-ethylanilino)-2-methylpropanoate

ethenyl 3-(N-ethylanilino)-2-methylpropanoate (PubChem CID 67266784) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is ethenyl 3-(N-ethylanilino)-2-methylpropanoate.

Molecular Properties

Compound Nameethenyl 3-(N-ethylanilino)-2-methylpropanoate
PubChem CID67266784
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Nameethenyl 3-(N-ethylanilino)-2-methylpropanoate
SMILESC=COC(=O)C(C)CN(CC)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-4-15(13-9-7-6-8-10-13)11-12(3)14(16)17-5-2/h5-10,12H,2,4,11H2,1,3H3
InChIKeyWNYCCTWPSPROCV-UHFFFAOYSA-N
XLogP2.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-(N-ethylanilino)-2-methyl-1-phenylpropan-1-one
CID 62611635
3-(N-ethylanilino)-2-methylpropanethioamide
CID 43367738
ethenyl 2-phenylbutanoate
CID 10932238
3-(N-ethyl-4-methylanilino)-2-methyl-1-phenylpropan-1-one
CID 63483365
ethenyl 2-phenylpropanoate
CID 11116578
2-amino-3-(N-ethylanilino)propan-1-ol
CID 64796105
3-(N-ethyl-4-propan-2-ylanilino)-2-methylpropanoic acid
CID 82318873
N,N-diethylaniline;hydrazine
CID 161037544
3-(4-tert-butyl-N-ethylanilino)-2-methylpropanoic acid
CID 82318878
2-ethoxy-3-(N-ethylanilino)propanal
CID 57048685
N,N-diethylaniline
CID 7061
ethenyl (3R)-3-phenylbutanoate
CID 10487918

Frequently Asked Questions

What is the IUPAC name of ethenyl 3-(N-ethylanilino)-2-methylpropanoate?
The IUPAC name of ethenyl 3-(N-ethylanilino)-2-methylpropanoate (CID 67266784) is ethenyl 3-(N-ethylanilino)-2-methylpropanoate.
What is the SMILES notation for ethenyl 3-(N-ethylanilino)-2-methylpropanoate?
The canonical SMILES for ethenyl 3-(N-ethylanilino)-2-methylpropanoate is C=COC(=O)C(C)CN(CC)c1ccccc1.
What is the InChIKey of ethenyl 3-(N-ethylanilino)-2-methylpropanoate?
The InChIKey is WNYCCTWPSPROCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-15(13-9-7-6-8-10-13)11-12(3)14(16)17-5-2/h5-10,12H,2,4,11H2,1,3H3.
What are the key properties of ethenyl 3-(N-ethylanilino)-2-methylpropanoate?
ethenyl 3-(N-ethylanilino)-2-methylpropanoate has a molecular weight of 233.31 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 3-(N-ethylanilino)-2-methylpropanoate is sourced from PubChem (CID 67266784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).