(E)-3-(4-hydroxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-N-methylprop-2-enamide

C19H21NO3 — CID 25195168

IUPAC(E)-3-(4-hydroxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-N-methylprop-2-enamide
SMILESCOc1ccc(CCN(C)C(=O)/C=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C19H21NO3/c1-20(14-13-16-5-10-18(23-2)11-6-16)19(22)12-7-15-3-8-17(21)9-4-15/h3-12,21H,13-14H2,1-2H3/b12-7+
InChIKeyFELKBIBTBNGNOU-KPKJPENVSA-N
MW311.38 g/mol
LogP3.12
Rot. Bonds6

About (E)-3-(4-hydroxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-N-methylprop-2-enamide

(E)-3-(4-hydroxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-N-methylprop-2-enamide (PubChem CID 25195168) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is (E)-3-(4-hydroxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-hydroxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-N-methylprop-2-enamide
PubChem CID25195168
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name(E)-3-(4-hydroxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-N-methylprop-2-enamide
SMILESCOc1ccc(CCN(C)C(=O)/C=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C19H21NO3/c1-20(14-13-16-5-10-18(23-2)11-6-16)19(22)12-7-15-3-8-17(21)9-4-15/h3-12,21H,13-14H2,1-2H3/b12-7+
InChIKeyFELKBIBTBNGNOU-KPKJPENVSA-N
XLogP3.12
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
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-(4-hydroxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-N-methylprop-2-enamide?
The IUPAC name of (E)-3-(4-hydroxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-N-methylprop-2-enamide (CID 25195168) is (E)-3-(4-hydroxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-hydroxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-(4-hydroxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-N-methylprop-2-enamide is COc1ccc(CCN(C)C(=O)/C=C/c2ccc(O)cc2)cc1.
What is the InChIKey of (E)-3-(4-hydroxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-N-methylprop-2-enamide?
The InChIKey is FELKBIBTBNGNOU-KPKJPENVSA-N. The full InChI is InChI=1S/C19H21NO3/c1-20(14-13-16-5-10-18(23-2)11-6-16)19(22)12-7-15-3-8-17(21)9-4-15/h3-12,21H,13-14H2,1-2H3/b12-7+.
What are the key properties of (E)-3-(4-hydroxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-N-methylprop-2-enamide?
(E)-3-(4-hydroxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-N-methylprop-2-enamide has a molecular weight of 311.38 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-hydroxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-N-methylprop-2-enamide is sourced from PubChem (CID 25195168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).