(E)-3-ethoxy-N-methyl-N-phenylprop-2-enamide

C12H15NO2 — CID 155272474

IUPAC(E)-3-ethoxy-N-methyl-N-phenylprop-2-enamide
SMILESCCO/C=C/C(=O)N(C)c1ccccc1
InChIInChI=1S/C12H15NO2/c1-3-15-10-9-12(14)13(2)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3/b10-9+
InChIKeyZDDRPVIBRPOGOL-MDZDMXLPSA-N
MW205.26 g/mol
LogP2.20
Rot. Bonds4

About (E)-3-ethoxy-N-methyl-N-phenylprop-2-enamide

(E)-3-ethoxy-N-methyl-N-phenylprop-2-enamide (PubChem CID 155272474) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (E)-3-ethoxy-N-methyl-N-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-ethoxy-N-methyl-N-phenylprop-2-enamide
PubChem CID155272474
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(E)-3-ethoxy-N-methyl-N-phenylprop-2-enamide
SMILESCCO/C=C/C(=O)N(C)c1ccccc1
InChIInChI=1S/C12H15NO2/c1-3-15-10-9-12(14)13(2)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3/b10-9+
InChIKeyZDDRPVIBRPOGOL-MDZDMXLPSA-N
XLogP2.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-ethoxy-N-methyl-N-phenylprop-2-enamide?
The IUPAC name of (E)-3-ethoxy-N-methyl-N-phenylprop-2-enamide (CID 155272474) is (E)-3-ethoxy-N-methyl-N-phenylprop-2-enamide.
What is the SMILES notation for (E)-3-ethoxy-N-methyl-N-phenylprop-2-enamide?
The canonical SMILES for (E)-3-ethoxy-N-methyl-N-phenylprop-2-enamide is CCO/C=C/C(=O)N(C)c1ccccc1.
What is the InChIKey of (E)-3-ethoxy-N-methyl-N-phenylprop-2-enamide?
The InChIKey is ZDDRPVIBRPOGOL-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-15-10-9-12(14)13(2)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3/b10-9+.
What are the key properties of (E)-3-ethoxy-N-methyl-N-phenylprop-2-enamide?
(E)-3-ethoxy-N-methyl-N-phenylprop-2-enamide has a molecular weight of 205.26 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-ethoxy-N-methyl-N-phenylprop-2-enamide is sourced from PubChem (CID 155272474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).