(Z)-3-anilino-N,2,4-triphenylbut-2-enamide

C28H24N2O — CID 5378755

IUPAC(Z)-3-anilino-N,2,4-triphenylbut-2-enamide
SMILESO=C(Nc1ccccc1)/C(=C(/Cc1ccccc1)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C28H24N2O/c31-28(30-25-19-11-4-12-20-25)27(23-15-7-2-8-16-23)26(21-22-13-5-1-6-14-22)29-24-17-9-3-10-18-24/h1-20,29H,21H2,(H,30,31)/b27-26-
InChIKeyLTINZIIBMAXMKA-RQZHXJHFSA-N
MW404.51 g/mol
LogP6.39
Rot. Bonds7

About (Z)-3-anilino-N,2,4-triphenylbut-2-enamide

(Z)-3-anilino-N,2,4-triphenylbut-2-enamide (PubChem CID 5378755) has the molecular formula C28H24N2O and a molecular weight of 404.51 g/mol. Its IUPAC name is (Z)-3-anilino-N,2,4-triphenylbut-2-enamide.

Molecular Properties

Compound Name(Z)-3-anilino-N,2,4-triphenylbut-2-enamide
PubChem CID5378755
Molecular FormulaC28H24N2O
Molecular Weight404.51 g/mol
Exact Mass404.19
IUPAC Name(Z)-3-anilino-N,2,4-triphenylbut-2-enamide
SMILESO=C(Nc1ccccc1)/C(=C(/Cc1ccccc1)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C28H24N2O/c31-28(30-25-19-11-4-12-20-25)27(23-15-7-2-8-16-23)26(21-22-13-5-1-6-14-22)29-24-17-9-3-10-18-24/h1-20,29H,21H2,(H,30,31)/b27-26-
InChIKeyLTINZIIBMAXMKA-RQZHXJHFSA-N
XLogP6.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 56.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-2-oxo-2-phenylacetamide
CID 139864247
N-phenyl-3-(2-phenylacetyl)benzamide
CID 162068879
(E)-N-(4-fluorophenyl)-3-methyl-4-(4-methylsulfonylphenyl)-2-phenylbut-2-enamide
CID 142958817
4-anilino-3,4-dioxobutanoic acid
CID 67355795
1-[4-[2-oxo-2-[4-(2-oxo-3-phenylpropyl)phenyl]ethyl]phenyl]-3-phenylurea
CID 58506375
2-[4-(phenylcarbamoylamino)phenyl]acetic acid
CID 564698
hexakis(methyl 2-phenylacetate);hexakis(N-phenylacetamide)
CID 174503010
N'-hydroxy-N-phenyloxamide
CID 5008441
2-anilino-N-phenylprop-2-enamide
CID 20522355
potassium 2-anilino-2-oxoacetate
CID 23690423
N-benzyl-N'-(4-carbamoylphenyl)oxamide
CID 7584954
N,N',N'-triphenyloxamide
CID 54357836

Frequently Asked Questions

What is the IUPAC name of (Z)-3-anilino-N,2,4-triphenylbut-2-enamide?
The IUPAC name of (Z)-3-anilino-N,2,4-triphenylbut-2-enamide (CID 5378755) is (Z)-3-anilino-N,2,4-triphenylbut-2-enamide.
What is the SMILES notation for (Z)-3-anilino-N,2,4-triphenylbut-2-enamide?
The canonical SMILES for (Z)-3-anilino-N,2,4-triphenylbut-2-enamide is O=C(Nc1ccccc1)/C(=C(/Cc1ccccc1)Nc1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-3-anilino-N,2,4-triphenylbut-2-enamide?
The InChIKey is LTINZIIBMAXMKA-RQZHXJHFSA-N. The full InChI is InChI=1S/C28H24N2O/c31-28(30-25-19-11-4-12-20-25)27(23-15-7-2-8-16-23)26(21-22-13-5-1-6-14-22)29-24-17-9-3-10-18-24/h1-20,29H,21H2,(H,30,31)/b27-26-.
What are the key properties of (Z)-3-anilino-N,2,4-triphenylbut-2-enamide?
(Z)-3-anilino-N,2,4-triphenylbut-2-enamide has a molecular weight of 404.51 g/mol, XLogP of 6.39, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-anilino-N,2,4-triphenylbut-2-enamide is sourced from PubChem (CID 5378755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).