(E)-4-oxo-N-phenyl-4-(4-propan-2-ylphenyl)but-2-enamide

C19H19NO2 — CID 71654019

IUPAC(E)-4-oxo-N-phenyl-4-(4-propan-2-ylphenyl)but-2-enamide
SMILESCC(C)c1ccc(C(=O)/C=C/C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C19H19NO2/c1-14(2)15-8-10-16(11-9-15)18(21)12-13-19(22)20-17-6-4-3-5-7-17/h3-14H,1-2H3,(H,20,22)/b13-12+
InChIKeyDANIZLFFXXINRO-OUKQBFOZSA-N
MW293.37 g/mol
LogP4.19
Rot. Bonds5

About (E)-4-oxo-N-phenyl-4-(4-propan-2-ylphenyl)but-2-enamide

(E)-4-oxo-N-phenyl-4-(4-propan-2-ylphenyl)but-2-enamide (PubChem CID 71654019) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (E)-4-oxo-N-phenyl-4-(4-propan-2-ylphenyl)but-2-enamide.

Molecular Properties

Compound Name(E)-4-oxo-N-phenyl-4-(4-propan-2-ylphenyl)but-2-enamide
PubChem CID71654019
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name(E)-4-oxo-N-phenyl-4-(4-propan-2-ylphenyl)but-2-enamide
SMILESCC(C)c1ccc(C(=O)/C=C/C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C19H19NO2/c1-14(2)15-8-10-16(11-9-15)18(21)12-13-19(22)20-17-6-4-3-5-7-17/h3-14H,1-2H3,(H,20,22)/b13-12+
InChIKeyDANIZLFFXXINRO-OUKQBFOZSA-N
XLogP4.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-oxo-N,4-diphenylbut-2-enamide
CID 12588042
(E)-4-(3,4-difluorophenyl)-4-oxo-N-(4-propan-2-ylphenyl)but-2-enamide
CID 9044559
(E)-3-phenylsulfanyl-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 67997746
N-[4-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]phenyl]acetamide
CID 91823894
(Z)-4-oxo-4-[4-[(E)-3-phenylprop-2-enoyl]anilino]but-2-enoic acid
CID 11099271
3-hydroxy-3-phenyl-1-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 3102941
(E)-N-phenyl-3-propan-2-ylsulfanylprop-2-enamide
CID 69128150
(Z)-4-anilino-4-oxobut-2-enoic acid;lanthanum
CID 175590215
(Z)-N-phenylbut-2-enamide
CID 59909226
(E)-3-(2-methylphenyl)-1-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 19557241
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
CID 162324012
CID 162324012

Frequently Asked Questions

What is the IUPAC name of (E)-4-oxo-N-phenyl-4-(4-propan-2-ylphenyl)but-2-enamide?
The IUPAC name of (E)-4-oxo-N-phenyl-4-(4-propan-2-ylphenyl)but-2-enamide (CID 71654019) is (E)-4-oxo-N-phenyl-4-(4-propan-2-ylphenyl)but-2-enamide.
What is the SMILES notation for (E)-4-oxo-N-phenyl-4-(4-propan-2-ylphenyl)but-2-enamide?
The canonical SMILES for (E)-4-oxo-N-phenyl-4-(4-propan-2-ylphenyl)but-2-enamide is CC(C)c1ccc(C(=O)/C=C/C(=O)Nc2ccccc2)cc1.
What is the InChIKey of (E)-4-oxo-N-phenyl-4-(4-propan-2-ylphenyl)but-2-enamide?
The InChIKey is DANIZLFFXXINRO-OUKQBFOZSA-N. The full InChI is InChI=1S/C19H19NO2/c1-14(2)15-8-10-16(11-9-15)18(21)12-13-19(22)20-17-6-4-3-5-7-17/h3-14H,1-2H3,(H,20,22)/b13-12+.
What are the key properties of (E)-4-oxo-N-phenyl-4-(4-propan-2-ylphenyl)but-2-enamide?
(E)-4-oxo-N-phenyl-4-(4-propan-2-ylphenyl)but-2-enamide has a molecular weight of 293.37 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-oxo-N-phenyl-4-(4-propan-2-ylphenyl)but-2-enamide is sourced from PubChem (CID 71654019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).