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

C19H25NO2 — CID 71654021

IUPAC(E)-N-cyclohexyl-4-oxo-4-(4-propan-2-ylphenyl)but-2-enamide
SMILESCC(C)c1ccc(C(=O)/C=C/C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C19H25NO2/c1-14(2)15-8-10-16(11-9-15)18(21)12-13-19(22)20-17-6-4-3-5-7-17/h8-14,17H,3-7H2,1-2H3,(H,20,22)/b13-12+
InChIKeyYXGGUSXIRUAREJ-OUKQBFOZSA-N
MW299.41 g/mol
LogP4.00
Rot. Bonds5

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

(E)-N-cyclohexyl-4-oxo-4-(4-propan-2-ylphenyl)but-2-enamide (PubChem CID 71654021) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is (E)-N-cyclohexyl-4-oxo-4-(4-propan-2-ylphenyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclohexyl-4-oxo-4-(4-propan-2-ylphenyl)but-2-enamide
PubChem CID71654021
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name(E)-N-cyclohexyl-4-oxo-4-(4-propan-2-ylphenyl)but-2-enamide
SMILESCC(C)c1ccc(C(=O)/C=C/C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C19H25NO2/c1-14(2)15-8-10-16(11-9-15)18(21)12-13-19(22)20-17-6-4-3-5-7-17/h8-14,17H,3-7H2,1-2H3,(H,20,22)/b13-12+
InChIKeyYXGGUSXIRUAREJ-OUKQBFOZSA-N
XLogP4.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.00
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclohexyl-4-oxo-4-(4-propan-2-ylphenyl)but-2-enamide?
The IUPAC name of (E)-N-cyclohexyl-4-oxo-4-(4-propan-2-ylphenyl)but-2-enamide (CID 71654021) is (E)-N-cyclohexyl-4-oxo-4-(4-propan-2-ylphenyl)but-2-enamide.
What is the SMILES notation for (E)-N-cyclohexyl-4-oxo-4-(4-propan-2-ylphenyl)but-2-enamide?
The canonical SMILES for (E)-N-cyclohexyl-4-oxo-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)-N-cyclohexyl-4-oxo-4-(4-propan-2-ylphenyl)but-2-enamide?
The InChIKey is YXGGUSXIRUAREJ-OUKQBFOZSA-N. The full InChI is InChI=1S/C19H25NO2/c1-14(2)15-8-10-16(11-9-15)18(21)12-13-19(22)20-17-6-4-3-5-7-17/h8-14,17H,3-7H2,1-2H3,(H,20,22)/b13-12+.
What are the key properties of (E)-N-cyclohexyl-4-oxo-4-(4-propan-2-ylphenyl)but-2-enamide?
(E)-N-cyclohexyl-4-oxo-4-(4-propan-2-ylphenyl)but-2-enamide has a molecular weight of 299.41 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclohexyl-4-oxo-4-(4-propan-2-ylphenyl)but-2-enamide is sourced from PubChem (CID 71654021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).