(E)-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-3-phenylprop-2-enamide

C18H19NO2 — CID 61044170

IUPAC(E)-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-3-phenylprop-2-enamide
SMILESCC(c1ccccc1O)N(C)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C18H19NO2/c1-14(16-10-6-7-11-17(16)20)19(2)18(21)13-12-15-8-4-3-5-9-15/h3-14,20H,1-2H3/b13-12+
InChIKeyABAQFZGIFFDGTN-OUKQBFOZSA-N
MW281.36 g/mol
LogP3.62
Rot. Bonds4

About (E)-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-3-phenylprop-2-enamide

(E)-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-3-phenylprop-2-enamide (PubChem CID 61044170) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (E)-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-3-phenylprop-2-enamide
PubChem CID61044170
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(E)-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-3-phenylprop-2-enamide
SMILESCC(c1ccccc1O)N(C)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C18H19NO2/c1-14(16-10-6-7-11-17(16)20)19(2)18(21)13-12-15-8-4-3-5-9-15/h3-14,20H,1-2H3/b13-12+
InChIKeyABAQFZGIFFDGTN-OUKQBFOZSA-N
XLogP3.62
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-methyl-3-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]prop-2-enamide
CID 17480995
methyl 4-[(E)-3-[1-(2-methoxyphenyl)ethyl-methylamino]-3-oxoprop-1-enyl]benzoate
CID 55593954
3-cyclopropyl-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbut-2-enamide
CID 127265601
(E)-N-[(4R)-2,6-dimethyl-3-oxoheptan-4-yl]-N-methyl-3-phenylprop-2-enamide
CID 58901335
2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61042835
methyl N-[1-(2-hydroxyphenyl)ethyl]-N-methylcarbamate
CID 61044422
N-fluoro-3-phenyl-N-propan-2-ylprop-2-enamide
CID 54163690
N-[1-(2-hydroxyphenyl)ethyl]-N,4-dimethylpyrrolidine-3-carboxamide
CID 63716151
(E)-N,N-bis(2-methylpropyl)-3-phenylprop-2-enamide
CID 732127
N-[1-(2-fluorophenyl)ethyl]-N-methylbut-2-enamide
CID 112725705
2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-phenylacetamide
CID 60953156
2,6-difluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61043567

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-3-phenylprop-2-enamide (CID 61044170) is (E)-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-3-phenylprop-2-enamide is CC(c1ccccc1O)N(C)C(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-3-phenylprop-2-enamide?
The InChIKey is ABAQFZGIFFDGTN-OUKQBFOZSA-N. The full InChI is InChI=1S/C18H19NO2/c1-14(16-10-6-7-11-17(16)20)19(2)18(21)13-12-15-8-4-3-5-9-15/h3-14,20H,1-2H3/b13-12+.
What are the key properties of (E)-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-3-phenylprop-2-enamide?
(E)-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-3-phenylprop-2-enamide has a molecular weight of 281.36 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-3-phenylprop-2-enamide is sourced from PubChem (CID 61044170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).