(Z)-2-hydroxy-3-[4-(N-phenylanilino)phenyl]-N-(2-phenylethyl)prop-2-enamide

C29H26N2O2 — CID 126604873

IUPAC(Z)-2-hydroxy-3-[4-(N-phenylanilino)phenyl]-N-(2-phenylethyl)prop-2-enamide
SMILESO=C(NCCc1ccccc1)/C(O)=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H26N2O2/c32-28(29(33)30-21-20-23-10-4-1-5-11-23)22-24-16-18-27(19-17-24)31(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-19,22,32H,20-21H2,(H,30,33)/b28-22-
InChIKeyIUVFJMLVFIKEJC-SLMZUGIISA-N
MW434.54 g/mol
LogP6.41
Rot. Bonds8

About (Z)-2-hydroxy-3-[4-(N-phenylanilino)phenyl]-N-(2-phenylethyl)prop-2-enamide

(Z)-2-hydroxy-3-[4-(N-phenylanilino)phenyl]-N-(2-phenylethyl)prop-2-enamide (PubChem CID 126604873) has the molecular formula C29H26N2O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is (Z)-2-hydroxy-3-[4-(N-phenylanilino)phenyl]-N-(2-phenylethyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-hydroxy-3-[4-(N-phenylanilino)phenyl]-N-(2-phenylethyl)prop-2-enamide
PubChem CID126604873
Molecular FormulaC29H26N2O2
Molecular Weight434.54 g/mol
Exact Mass434.20
IUPAC Name(Z)-2-hydroxy-3-[4-(N-phenylanilino)phenyl]-N-(2-phenylethyl)prop-2-enamide
SMILESO=C(NCCc1ccccc1)/C(O)=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H26N2O2/c32-28(29(33)30-21-20-23-10-4-1-5-11-23)22-24-16-18-27(19-17-24)31(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-19,22,32H,20-21H2,(H,30,33)/b28-22-
InChIKeyIUVFJMLVFIKEJC-SLMZUGIISA-N
XLogP6.41
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 56.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-2-hydroxy-3-[4-(N-phenylanilino)phenyl]-N-(2-phenylethyl)prop-2-enamide
CID 70997718
(Z)-2-methyl-3-[4-(N-phenylanilino)phenyl]-N-(2-phenylethyl)prop-2-enamide
CID 71017879
2,3-diphenyl-N-(2-phenylethyl)prop-2-enamide
CID 2897013
(Z)-3-(4-methoxyphenyl)-2-phenyl-N-(2-phenylethyl)prop-2-enamide
CID 2290505
2-[(3,4-dihydroxyphenyl)methylidene]-N,N'-bis(2-phenylethyl)propanediamide
CID 2377632
(Z)-2-cyano-3-[4-(diethylamino)phenyl]-N-(3-phenylpropyl)prop-2-enamide
CID 126247855
N-(2-phenylethyl)-N'-prop-2-enyloxamide
CID 2058117
(Z)-2-cyano-3-(N-ethylanilino)-N-(2-phenylethyl)prop-2-enamide
CID 108835165
N,N-diphenyl-4-[2-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethyl]aniline
CID 76639574
N'-[2-(4-fluorophenyl)ethyl]-N-(2-phenylethyl)oxamide
CID 3117526
methyl 4-[2-cyano-3-oxo-3-(2-phenylethylamino)prop-1-enyl]benzoate
CID 2892674
2-cyano-3-[4-(N-phenylanilino)phenyl]-N-prop-2-enylprop-2-enamide
CID 3427777

Frequently Asked Questions

What is the IUPAC name of (Z)-2-hydroxy-3-[4-(N-phenylanilino)phenyl]-N-(2-phenylethyl)prop-2-enamide?
The IUPAC name of (Z)-2-hydroxy-3-[4-(N-phenylanilino)phenyl]-N-(2-phenylethyl)prop-2-enamide (CID 126604873) is (Z)-2-hydroxy-3-[4-(N-phenylanilino)phenyl]-N-(2-phenylethyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-hydroxy-3-[4-(N-phenylanilino)phenyl]-N-(2-phenylethyl)prop-2-enamide?
The canonical SMILES for (Z)-2-hydroxy-3-[4-(N-phenylanilino)phenyl]-N-(2-phenylethyl)prop-2-enamide is O=C(NCCc1ccccc1)/C(O)=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (Z)-2-hydroxy-3-[4-(N-phenylanilino)phenyl]-N-(2-phenylethyl)prop-2-enamide?
The InChIKey is IUVFJMLVFIKEJC-SLMZUGIISA-N. The full InChI is InChI=1S/C29H26N2O2/c32-28(29(33)30-21-20-23-10-4-1-5-11-23)22-24-16-18-27(19-17-24)31(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-19,22,32H,20-21H2,(H,30,33)/b28-22-.
What are the key properties of (Z)-2-hydroxy-3-[4-(N-phenylanilino)phenyl]-N-(2-phenylethyl)prop-2-enamide?
(Z)-2-hydroxy-3-[4-(N-phenylanilino)phenyl]-N-(2-phenylethyl)prop-2-enamide has a molecular weight of 434.54 g/mol, XLogP of 6.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-hydroxy-3-[4-(N-phenylanilino)phenyl]-N-(2-phenylethyl)prop-2-enamide is sourced from PubChem (CID 126604873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).