N,3-diphenyl-3-phenyliminopropanamide

C21H18N2O — CID 12871998

IUPACN,3-diphenyl-3-phenyliminopropanamide
SMILESO=C(C/C(=N\c1ccccc1)c1ccccc1)Nc1ccccc1
InChIInChI=1S/C21H18N2O/c24-21(23-19-14-8-3-9-15-19)16-20(17-10-4-1-5-11-17)22-18-12-6-2-7-13-18/h1-15H,16H2,(H,23,24)/b22-20+
InChIKeyZJGCTZFATLFZFS-LSDHQDQOSA-N
MW314.39 g/mol
LogP4.84
Rot. Bonds5

About N,3-diphenyl-3-phenyliminopropanamide

N,3-diphenyl-3-phenyliminopropanamide (PubChem CID 12871998) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is N,3-diphenyl-3-phenyliminopropanamide.

Molecular Properties

Compound NameN,3-diphenyl-3-phenyliminopropanamide
PubChem CID12871998
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC NameN,3-diphenyl-3-phenyliminopropanamide
SMILESO=C(C/C(=N\c1ccccc1)c1ccccc1)Nc1ccccc1
InChIInChI=1S/C21H18N2O/c24-21(23-19-14-8-3-9-15-19)16-20(17-10-4-1-5-11-17)22-18-12-6-2-7-13-18/h1-15H,16H2,(H,23,24)/b22-20+
InChIKeyZJGCTZFATLFZFS-LSDHQDQOSA-N
XLogP4.84
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,3-diphenyl-3-phenyliminopropanamide?
The IUPAC name of N,3-diphenyl-3-phenyliminopropanamide (CID 12871998) is N,3-diphenyl-3-phenyliminopropanamide.
What is the SMILES notation for N,3-diphenyl-3-phenyliminopropanamide?
The canonical SMILES for N,3-diphenyl-3-phenyliminopropanamide is O=C(C/C(=N\c1ccccc1)c1ccccc1)Nc1ccccc1.
What is the InChIKey of N,3-diphenyl-3-phenyliminopropanamide?
The InChIKey is ZJGCTZFATLFZFS-LSDHQDQOSA-N. The full InChI is InChI=1S/C21H18N2O/c24-21(23-19-14-8-3-9-15-19)16-20(17-10-4-1-5-11-17)22-18-12-6-2-7-13-18/h1-15H,16H2,(H,23,24)/b22-20+.
What are the key properties of N,3-diphenyl-3-phenyliminopropanamide?
N,3-diphenyl-3-phenyliminopropanamide has a molecular weight of 314.39 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diphenyl-3-phenyliminopropanamide is sourced from PubChem (CID 12871998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).