2,4,4-triphenylbuta-2,3-dienamide

C22H17NO — CID 134922971

IUPAC2,4,4-triphenylbuta-2,3-dienamide
SMILESNC(=O)C(=C=C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H17NO/c23-22(24)21(19-14-8-3-9-15-19)16-20(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-15H,(H2,23,24)
InChIKeyKFESAIVMXFRXMA-UHFFFAOYSA-N
MW311.38 g/mol
LogP4.29
Rot. Bonds4

About 2,4,4-triphenylbuta-2,3-dienamide

2,4,4-triphenylbuta-2,3-dienamide (PubChem CID 134922971) has the molecular formula C22H17NO and a molecular weight of 311.38 g/mol. Its IUPAC name is 2,4,4-triphenylbuta-2,3-dienamide.

Molecular Properties

Compound Name2,4,4-triphenylbuta-2,3-dienamide
PubChem CID134922971
Molecular FormulaC22H17NO
Molecular Weight311.38 g/mol
Exact Mass311.13
IUPAC Name2,4,4-triphenylbuta-2,3-dienamide
SMILESNC(=O)C(=C=C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H17NO/c23-22(24)21(19-14-8-3-9-15-19)16-20(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-15H,(H2,23,24)
InChIKeyKFESAIVMXFRXMA-UHFFFAOYSA-N
XLogP4.29
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3,3-triphenyl(1,2,3-13C3)propa-1,2-dienylbenzene
CID 15621535
diphenylmethanone
CID 3102
benzamide;hydron
CID 68819060
CID 67738089
CID 67738089
2,4,4-triphenylbuta-2,3-dienal
CID 11982143
bis(diphenylmethanone);dihydrochloride
CID 69107757
diphenylmethanone;gold
CID 174931146
cobalt(2+);diphenylmethanone
CID 19033779
disodium;diphenylmethanone
CID 19380838
benzamide;ethene
CID 143479548
(Z)-2,3-diphenylprop-2-enamide
CID 6016357
3-oxo-2-phenylprop-2-enoyl chloride
CID 10773734

Frequently Asked Questions

What is the IUPAC name of 2,4,4-triphenylbuta-2,3-dienamide?
The IUPAC name of 2,4,4-triphenylbuta-2,3-dienamide (CID 134922971) is 2,4,4-triphenylbuta-2,3-dienamide.
What is the SMILES notation for 2,4,4-triphenylbuta-2,3-dienamide?
The canonical SMILES for 2,4,4-triphenylbuta-2,3-dienamide is NC(=O)C(=C=C(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 2,4,4-triphenylbuta-2,3-dienamide?
The InChIKey is KFESAIVMXFRXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO/c23-22(24)21(19-14-8-3-9-15-19)16-20(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-15H,(H2,23,24).
What are the key properties of 2,4,4-triphenylbuta-2,3-dienamide?
2,4,4-triphenylbuta-2,3-dienamide has a molecular weight of 311.38 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-triphenylbuta-2,3-dienamide is sourced from PubChem (CID 134922971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).