2-methyl-N,4,4-triphenylbut-3-enamide

C23H21NO — CID 134919204

IUPAC2-methyl-N,4,4-triphenylbut-3-enamide
SMILESCC(C=C(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C23H21NO/c1-18(23(25)24-21-15-9-4-10-16-21)17-22(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-18H,1H3,(H,24,25)
InChIKeyCRWFUIWRLKNHNF-UHFFFAOYSA-N
MW327.43 g/mol
LogP5.39
Rot. Bonds5

About 2-methyl-N,4,4-triphenylbut-3-enamide

2-methyl-N,4,4-triphenylbut-3-enamide (PubChem CID 134919204) has the molecular formula C23H21NO and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-methyl-N,4,4-triphenylbut-3-enamide.

Molecular Properties

Compound Name2-methyl-N,4,4-triphenylbut-3-enamide
PubChem CID134919204
Molecular FormulaC23H21NO
Molecular Weight327.43 g/mol
Exact Mass327.16
IUPAC Name2-methyl-N,4,4-triphenylbut-3-enamide
SMILESCC(C=C(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C23H21NO/c1-18(23(25)24-21-15-9-4-10-16-21)17-22(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-18H,1H3,(H,24,25)
InChIKeyCRWFUIWRLKNHNF-UHFFFAOYSA-N
XLogP5.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N,4,4-triphenylbut-3-enamide?
The IUPAC name of 2-methyl-N,4,4-triphenylbut-3-enamide (CID 134919204) is 2-methyl-N,4,4-triphenylbut-3-enamide.
What is the SMILES notation for 2-methyl-N,4,4-triphenylbut-3-enamide?
The canonical SMILES for 2-methyl-N,4,4-triphenylbut-3-enamide is CC(C=C(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1.
What is the InChIKey of 2-methyl-N,4,4-triphenylbut-3-enamide?
The InChIKey is CRWFUIWRLKNHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO/c1-18(23(25)24-21-15-9-4-10-16-21)17-22(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-18H,1H3,(H,24,25).
What are the key properties of 2-methyl-N,4,4-triphenylbut-3-enamide?
2-methyl-N,4,4-triphenylbut-3-enamide has a molecular weight of 327.43 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N,4,4-triphenylbut-3-enamide is sourced from PubChem (CID 134919204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).