N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-hydroxyphenyl)-3,3-diphenylprop-2-enamide

C31H30N2O3 — CID 42603085

About N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-hydroxyphenyl)-3,3-diphenylprop-2-enamide

N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-hydroxyphenyl)-3,3-diphenylprop-2-enamide (PubChem CID 42603085) has the molecular formula C31H30N2O3 and a molecular weight of 478.59 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-hydroxyphenyl)-3,3-diphenylprop-2-enamide.

Molecular Properties

• Compound Name: N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-hydroxyphenyl)-3,3-diphenylprop-2-enamide
• PubChem CID: 42603085
• Molecular Formula: C31H30N2O3
• Molecular Weight: 478.59 g/mol
• Exact Mass: 478.23
• IUPAC Name: N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-hydroxyphenyl)-3,3-diphenylprop-2-enamide
• SMILES: CN(C)CCOc1ccc(NC(=O)C(=C(c2ccccc2)c2ccccc2)c2ccc(O)cc2)cc1
• InChI: InChI=1S/C31H30N2O3/c1-33(2)21-22-36-28-19-15-26(16-20-28)32-31(35)30(25-13-17-27(34)18-14-25)29(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-20,34H,21-22H2,1-2H3,(H,32,35)
• InChIKey: KSIHSIBBTGVEFP-UHFFFAOYSA-N
• XLogP: 5.93
• TPSA: 61.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.59
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-hydroxyphenyl)-3,3-diphenylprop-2-enamide?

The IUPAC name of N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-hydroxyphenyl)-3,3-diphenylprop-2-enamide (CID 42603085) is N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-hydroxyphenyl)-3,3-diphenylprop-2-enamide.

What is the SMILES notation for N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-hydroxyphenyl)-3,3-diphenylprop-2-enamide?

The canonical SMILES for N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-hydroxyphenyl)-3,3-diphenylprop-2-enamide is CN(C)CCOc1ccc(NC(=O)C(=C(c2ccccc2)c2ccccc2)c2ccc(O)cc2)cc1.

What is the InChIKey of N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-hydroxyphenyl)-3,3-diphenylprop-2-enamide?

The InChIKey is KSIHSIBBTGVEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N2O3/c1-33(2)21-22-36-28-19-15-26(16-20-28)32-31(35)30(25-13-17-27(34)18-14-25)29(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-20,34H,21-22H2,1-2H3,(H,32,35).

What are the key properties of N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-hydroxyphenyl)-3,3-diphenylprop-2-enamide?

N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-hydroxyphenyl)-3,3-diphenylprop-2-enamide has a molecular weight of 478.59 g/mol, XLogP of 5.93, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-hydroxyphenyl)-3,3-diphenylprop-2-enamide is sourced from PubChem (CID 42603085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).