(E)-N-ethyl-4-(2-methoxyphenyl)-N-methyl-4-oxobut-2-enamide

C14H17NO3 — CID 155534673

IUPAC(E)-N-ethyl-4-(2-methoxyphenyl)-N-methyl-4-oxobut-2-enamide
SMILESCCN(C)C(=O)/C=C/C(=O)c1ccccc1OC
InChIInChI=1S/C14H17NO3/c1-4-15(2)14(17)10-9-12(16)11-7-5-6-8-13(11)18-3/h5-10H,4H2,1-3H3/b10-9+
InChIKeyAGDGUBMQRGKSCX-MDZDMXLPSA-N
MW247.29 g/mol
LogP1.91
Rot. Bonds5

About (E)-N-ethyl-4-(2-methoxyphenyl)-N-methyl-4-oxobut-2-enamide

(E)-N-ethyl-4-(2-methoxyphenyl)-N-methyl-4-oxobut-2-enamide (PubChem CID 155534673) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is (E)-N-ethyl-4-(2-methoxyphenyl)-N-methyl-4-oxobut-2-enamide.

Molecular Properties

Compound Name(E)-N-ethyl-4-(2-methoxyphenyl)-N-methyl-4-oxobut-2-enamide
PubChem CID155534673
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name(E)-N-ethyl-4-(2-methoxyphenyl)-N-methyl-4-oxobut-2-enamide
SMILESCCN(C)C(=O)/C=C/C(=O)c1ccccc1OC
InChIInChI=1S/C14H17NO3/c1-4-15(2)14(17)10-9-12(16)11-7-5-6-8-13(11)18-3/h5-10H,4H2,1-3H3/b10-9+
InChIKeyAGDGUBMQRGKSCX-MDZDMXLPSA-N
XLogP1.91
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-4-(2-methoxyphenyl)-N-methyl-4-oxobut-2-enamide?
The IUPAC name of (E)-N-ethyl-4-(2-methoxyphenyl)-N-methyl-4-oxobut-2-enamide (CID 155534673) is (E)-N-ethyl-4-(2-methoxyphenyl)-N-methyl-4-oxobut-2-enamide.
What is the SMILES notation for (E)-N-ethyl-4-(2-methoxyphenyl)-N-methyl-4-oxobut-2-enamide?
The canonical SMILES for (E)-N-ethyl-4-(2-methoxyphenyl)-N-methyl-4-oxobut-2-enamide is CCN(C)C(=O)/C=C/C(=O)c1ccccc1OC.
What is the InChIKey of (E)-N-ethyl-4-(2-methoxyphenyl)-N-methyl-4-oxobut-2-enamide?
The InChIKey is AGDGUBMQRGKSCX-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H17NO3/c1-4-15(2)14(17)10-9-12(16)11-7-5-6-8-13(11)18-3/h5-10H,4H2,1-3H3/b10-9+.
What are the key properties of (E)-N-ethyl-4-(2-methoxyphenyl)-N-methyl-4-oxobut-2-enamide?
(E)-N-ethyl-4-(2-methoxyphenyl)-N-methyl-4-oxobut-2-enamide has a molecular weight of 247.29 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-4-(2-methoxyphenyl)-N-methyl-4-oxobut-2-enamide is sourced from PubChem (CID 155534673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).