ethyl 2-(4-methoxyanilino)pent-4-enoate

C14H19NO3 — CID 11807040

IUPACethyl 2-(4-methoxyanilino)pent-4-enoate
SMILESC=CCC(Nc1ccc(OC)cc1)C(=O)OCC
InChIInChI=1S/C14H19NO3/c1-4-6-13(14(16)18-5-2)15-11-7-9-12(17-3)10-8-11/h4,7-10,13,15H,1,5-6H2,2-3H3
InChIKeyFGBOFQZPEGMEQD-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.61
Rot. Bonds7

About ethyl 2-(4-methoxyanilino)pent-4-enoate

ethyl 2-(4-methoxyanilino)pent-4-enoate (PubChem CID 11807040) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is ethyl 2-(4-methoxyanilino)pent-4-enoate.

Molecular Properties

Compound Nameethyl 2-(4-methoxyanilino)pent-4-enoate
PubChem CID11807040
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Nameethyl 2-(4-methoxyanilino)pent-4-enoate
SMILESC=CCC(Nc1ccc(OC)cc1)C(=O)OCC
InChIInChI=1S/C14H19NO3/c1-4-6-13(14(16)18-5-2)15-11-7-9-12(17-3)10-8-11/h4,7-10,13,15H,1,5-6H2,2-3H3
InChIKeyFGBOFQZPEGMEQD-UHFFFAOYSA-N
XLogP2.61
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methoxyanilino)pent-4-enoate?
The IUPAC name of ethyl 2-(4-methoxyanilino)pent-4-enoate (CID 11807040) is ethyl 2-(4-methoxyanilino)pent-4-enoate.
What is the SMILES notation for ethyl 2-(4-methoxyanilino)pent-4-enoate?
The canonical SMILES for ethyl 2-(4-methoxyanilino)pent-4-enoate is C=CCC(Nc1ccc(OC)cc1)C(=O)OCC.
What is the InChIKey of ethyl 2-(4-methoxyanilino)pent-4-enoate?
The InChIKey is FGBOFQZPEGMEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-4-6-13(14(16)18-5-2)15-11-7-9-12(17-3)10-8-11/h4,7-10,13,15H,1,5-6H2,2-3H3.
What are the key properties of ethyl 2-(4-methoxyanilino)pent-4-enoate?
ethyl 2-(4-methoxyanilino)pent-4-enoate has a molecular weight of 249.31 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methoxyanilino)pent-4-enoate is sourced from PubChem (CID 11807040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).