(E)-N,N-diethyl-3-(4-phenylphenyl)but-2-enamide

C20H23NO — CID 10780074

IUPAC(E)-N,N-diethyl-3-(4-phenylphenyl)but-2-enamide
SMILESCCN(CC)C(=O)/C=C(\C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H23NO/c1-4-21(5-2)20(22)15-16(3)17-11-13-19(14-12-17)18-9-7-6-8-10-18/h6-15H,4-5H2,1-3H3/b16-15+
InChIKeyFJSINKNDNMICPY-FOCLMDBBSA-N
MW293.41 g/mol
LogP4.63
Rot. Bonds5

About (E)-N,N-diethyl-3-(4-phenylphenyl)but-2-enamide

(E)-N,N-diethyl-3-(4-phenylphenyl)but-2-enamide (PubChem CID 10780074) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is (E)-N,N-diethyl-3-(4-phenylphenyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N,N-diethyl-3-(4-phenylphenyl)but-2-enamide
PubChem CID10780074
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name(E)-N,N-diethyl-3-(4-phenylphenyl)but-2-enamide
SMILESCCN(CC)C(=O)/C=C(\C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H23NO/c1-4-21(5-2)20(22)15-16(3)17-11-13-19(14-12-17)18-9-7-6-8-10-18/h6-15H,4-5H2,1-3H3/b16-15+
InChIKeyFJSINKNDNMICPY-FOCLMDBBSA-N
XLogP4.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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,N-diethyl-3-(4-phenylphenyl)but-2-enamide?
The IUPAC name of (E)-N,N-diethyl-3-(4-phenylphenyl)but-2-enamide (CID 10780074) is (E)-N,N-diethyl-3-(4-phenylphenyl)but-2-enamide.
What is the SMILES notation for (E)-N,N-diethyl-3-(4-phenylphenyl)but-2-enamide?
The canonical SMILES for (E)-N,N-diethyl-3-(4-phenylphenyl)but-2-enamide is CCN(CC)C(=O)/C=C(\C)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (E)-N,N-diethyl-3-(4-phenylphenyl)but-2-enamide?
The InChIKey is FJSINKNDNMICPY-FOCLMDBBSA-N. The full InChI is InChI=1S/C20H23NO/c1-4-21(5-2)20(22)15-16(3)17-11-13-19(14-12-17)18-9-7-6-8-10-18/h6-15H,4-5H2,1-3H3/b16-15+.
What are the key properties of (E)-N,N-diethyl-3-(4-phenylphenyl)but-2-enamide?
(E)-N,N-diethyl-3-(4-phenylphenyl)but-2-enamide has a molecular weight of 293.41 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-diethyl-3-(4-phenylphenyl)but-2-enamide is sourced from PubChem (CID 10780074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).