(E)-3-(4-hydroxyphenyl)-N-(4-propan-2-ylphenyl)prop-2-enamide

C18H19NO2 — CID 84552409

IUPAC(E)-3-(4-hydroxyphenyl)-N-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCC(C)c1ccc(NC(=O)/C=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C18H19NO2/c1-13(2)15-6-8-16(9-7-15)19-18(21)12-5-14-3-10-17(20)11-4-14/h3-13,20H,1-2H3,(H,19,21)/b12-5+
InChIKeyFRKGYXSPPJHUPF-LFYBBSHMSA-N
MW281.36 g/mol
LogP4.17
Rot. Bonds4

About (E)-3-(4-hydroxyphenyl)-N-(4-propan-2-ylphenyl)prop-2-enamide

(E)-3-(4-hydroxyphenyl)-N-(4-propan-2-ylphenyl)prop-2-enamide (PubChem CID 84552409) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (E)-3-(4-hydroxyphenyl)-N-(4-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-hydroxyphenyl)-N-(4-propan-2-ylphenyl)prop-2-enamide
PubChem CID84552409
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(E)-3-(4-hydroxyphenyl)-N-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCC(C)c1ccc(NC(=O)/C=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C18H19NO2/c1-13(2)15-6-8-16(9-7-15)19-18(21)12-5-14-3-10-17(20)11-4-14/h3-13,20H,1-2H3,(H,19,21)/b12-5+
InChIKeyFRKGYXSPPJHUPF-LFYBBSHMSA-N
XLogP4.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(4-aminophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 28854457
N-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 763457
(Z)-N-(4-butan-2-ylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 22305599
(E)-N-(4-propan-2-ylphenyl)-3-pyridin-4-ylprop-2-enamide
CID 34908465
3-(4-chlorophenyl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 3267972
(E)-3-[4-(methylsulfamoyl)phenyl]-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 25391728
N-[4-(acetylcarbamothioylamino)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 5121311
4-tert-butyl-N-[4-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 17111353
3-(4-propan-2-ylphenyl)-N-(4-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 806937
ethyl 4-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]benzoate
CID 766245
ethyl 4-[3-(4-propan-2-ylphenyl)prop-2-enoylamino]benzoate
CID 766243
(E)-N-[4-(acetylsulfamoyl)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1290295

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-hydroxyphenyl)-N-(4-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-hydroxyphenyl)-N-(4-propan-2-ylphenyl)prop-2-enamide (CID 84552409) is (E)-3-(4-hydroxyphenyl)-N-(4-propan-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-hydroxyphenyl)-N-(4-propan-2-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-hydroxyphenyl)-N-(4-propan-2-ylphenyl)prop-2-enamide is CC(C)c1ccc(NC(=O)/C=C/c2ccc(O)cc2)cc1.
What is the InChIKey of (E)-3-(4-hydroxyphenyl)-N-(4-propan-2-ylphenyl)prop-2-enamide?
The InChIKey is FRKGYXSPPJHUPF-LFYBBSHMSA-N. The full InChI is InChI=1S/C18H19NO2/c1-13(2)15-6-8-16(9-7-15)19-18(21)12-5-14-3-10-17(20)11-4-14/h3-13,20H,1-2H3,(H,19,21)/b12-5+.
What are the key properties of (E)-3-(4-hydroxyphenyl)-N-(4-propan-2-ylphenyl)prop-2-enamide?
(E)-3-(4-hydroxyphenyl)-N-(4-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 281.36 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-hydroxyphenyl)-N-(4-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 84552409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).