(E)-3-(2,4-dihydroxyphenyl)-N,N-diethylprop-2-enamide

C13H17NO3 — CID 155529845

IUPAC(E)-3-(2,4-dihydroxyphenyl)-N,N-diethylprop-2-enamide
SMILESCCN(CC)C(=O)/C=C/c1ccc(O)cc1O
InChIInChI=1S/C13H17NO3/c1-3-14(4-2)13(17)8-6-10-5-7-11(15)9-12(10)16/h5-9,15-16H,3-4H2,1-2H3/b8-6+
InChIKeyMUVKMPNGDZPBBV-SOFGYWHQSA-N
MW235.28 g/mol
LogP1.98
Rot. Bonds4

About (E)-3-(2,4-dihydroxyphenyl)-N,N-diethylprop-2-enamide

(E)-3-(2,4-dihydroxyphenyl)-N,N-diethylprop-2-enamide (PubChem CID 155529845) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is (E)-3-(2,4-dihydroxyphenyl)-N,N-diethylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,4-dihydroxyphenyl)-N,N-diethylprop-2-enamide
PubChem CID155529845
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name(E)-3-(2,4-dihydroxyphenyl)-N,N-diethylprop-2-enamide
SMILESCCN(CC)C(=O)/C=C/c1ccc(O)cc1O
InChIInChI=1S/C13H17NO3/c1-3-14(4-2)13(17)8-6-10-5-7-11(15)9-12(10)16/h5-9,15-16H,3-4H2,1-2H3/b8-6+
InChIKeyMUVKMPNGDZPBBV-SOFGYWHQSA-N
XLogP1.98
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.98
H-Bond Donors ≤ 52
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)-3-(2,4-dihydroxyphenyl)-N,N-diethylprop-2-enamide?
The IUPAC name of (E)-3-(2,4-dihydroxyphenyl)-N,N-diethylprop-2-enamide (CID 155529845) is (E)-3-(2,4-dihydroxyphenyl)-N,N-diethylprop-2-enamide.
What is the SMILES notation for (E)-3-(2,4-dihydroxyphenyl)-N,N-diethylprop-2-enamide?
The canonical SMILES for (E)-3-(2,4-dihydroxyphenyl)-N,N-diethylprop-2-enamide is CCN(CC)C(=O)/C=C/c1ccc(O)cc1O.
What is the InChIKey of (E)-3-(2,4-dihydroxyphenyl)-N,N-diethylprop-2-enamide?
The InChIKey is MUVKMPNGDZPBBV-SOFGYWHQSA-N. The full InChI is InChI=1S/C13H17NO3/c1-3-14(4-2)13(17)8-6-10-5-7-11(15)9-12(10)16/h5-9,15-16H,3-4H2,1-2H3/b8-6+.
What are the key properties of (E)-3-(2,4-dihydroxyphenyl)-N,N-diethylprop-2-enamide?
(E)-3-(2,4-dihydroxyphenyl)-N,N-diethylprop-2-enamide has a molecular weight of 235.28 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dihydroxyphenyl)-N,N-diethylprop-2-enamide is sourced from PubChem (CID 155529845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).