[benzyl(1-phenylbut-3-enyl)amino] benzoate

C24H23NO2 — CID 15529342

IUPAC[benzyl(1-phenylbut-3-enyl)amino] benzoate
SMILESC=CCC(c1ccccc1)N(Cc1ccccc1)OC(=O)c1ccccc1
InChIInChI=1S/C24H23NO2/c1-2-12-23(21-15-8-4-9-16-21)25(19-20-13-6-3-7-14-20)27-24(26)22-17-10-5-11-18-22/h2-11,13-18,23H,1,12,19H2
InChIKeyZBSFXWHUFPQIKF-UHFFFAOYSA-N
MW357.45 g/mol
LogP5.58
Rot. Bonds8

About [benzyl(1-phenylbut-3-enyl)amino] benzoate

[benzyl(1-phenylbut-3-enyl)amino] benzoate (PubChem CID 15529342) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is [benzyl(1-phenylbut-3-enyl)amino] benzoate.

Molecular Properties

Compound Name[benzyl(1-phenylbut-3-enyl)amino] benzoate
PubChem CID15529342
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Name[benzyl(1-phenylbut-3-enyl)amino] benzoate
SMILESC=CCC(c1ccccc1)N(Cc1ccccc1)OC(=O)c1ccccc1
InChIInChI=1S/C24H23NO2/c1-2-12-23(21-15-8-4-9-16-21)25(19-20-13-6-3-7-14-20)27-24(26)22-17-10-5-11-18-22/h2-11,13-18,23H,1,12,19H2
InChIKeyZBSFXWHUFPQIKF-UHFFFAOYSA-N
XLogP5.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.45
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [benzyl(1-phenylbut-3-enyl)amino] benzoate?
The IUPAC name of [benzyl(1-phenylbut-3-enyl)amino] benzoate (CID 15529342) is [benzyl(1-phenylbut-3-enyl)amino] benzoate.
What is the SMILES notation for [benzyl(1-phenylbut-3-enyl)amino] benzoate?
The canonical SMILES for [benzyl(1-phenylbut-3-enyl)amino] benzoate is C=CCC(c1ccccc1)N(Cc1ccccc1)OC(=O)c1ccccc1.
What is the InChIKey of [benzyl(1-phenylbut-3-enyl)amino] benzoate?
The InChIKey is ZBSFXWHUFPQIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2/c1-2-12-23(21-15-8-4-9-16-21)25(19-20-13-6-3-7-14-20)27-24(26)22-17-10-5-11-18-22/h2-11,13-18,23H,1,12,19H2.
What are the key properties of [benzyl(1-phenylbut-3-enyl)amino] benzoate?
[benzyl(1-phenylbut-3-enyl)amino] benzoate has a molecular weight of 357.45 g/mol, XLogP of 5.58, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [benzyl(1-phenylbut-3-enyl)amino] benzoate is sourced from PubChem (CID 15529342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).