3-[4-[(benzhydrylamino)methyl]-N-methylanilino]propanenitrile

C24H25N3 — CID 32553754

IUPAC3-[4-[(benzhydrylamino)methyl]-N-methylanilino]propanenitrile
SMILESCN(CCC#N)c1ccc(CNC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H25N3/c1-27(18-8-17-25)23-15-13-20(14-16-23)19-26-24(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-7,9-16,24,26H,8,18-19H2,1H3
InChIKeyKDUNWFSNMFZMGW-UHFFFAOYSA-N
MW355.49 g/mol
LogP4.92
Rot. Bonds8

About 3-[4-[(benzhydrylamino)methyl]-N-methylanilino]propanenitrile

3-[4-[(benzhydrylamino)methyl]-N-methylanilino]propanenitrile (PubChem CID 32553754) has the molecular formula C24H25N3 and a molecular weight of 355.49 g/mol. Its IUPAC name is 3-[4-[(benzhydrylamino)methyl]-N-methylanilino]propanenitrile.

Molecular Properties

Compound Name3-[4-[(benzhydrylamino)methyl]-N-methylanilino]propanenitrile
PubChem CID32553754
Molecular FormulaC24H25N3
Molecular Weight355.49 g/mol
Exact Mass355.20
IUPAC Name3-[4-[(benzhydrylamino)methyl]-N-methylanilino]propanenitrile
SMILESCN(CCC#N)c1ccc(CNC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H25N3/c1-27(18-8-17-25)23-15-13-20(14-16-23)19-26-24(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-7,9-16,24,26H,8,18-19H2,1H3
InChIKeyKDUNWFSNMFZMGW-UHFFFAOYSA-N
XLogP4.92
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 3-[4-[(benzhydrylamino)methyl]-N-methylanilino]propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(benzhydrylamino)methyl]-N-methylanilino]propanenitrile?
The IUPAC name of 3-[4-[(benzhydrylamino)methyl]-N-methylanilino]propanenitrile (CID 32553754) is 3-[4-[(benzhydrylamino)methyl]-N-methylanilino]propanenitrile.
What is the SMILES notation for 3-[4-[(benzhydrylamino)methyl]-N-methylanilino]propanenitrile?
The canonical SMILES for 3-[4-[(benzhydrylamino)methyl]-N-methylanilino]propanenitrile is CN(CCC#N)c1ccc(CNC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 3-[4-[(benzhydrylamino)methyl]-N-methylanilino]propanenitrile?
The InChIKey is KDUNWFSNMFZMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3/c1-27(18-8-17-25)23-15-13-20(14-16-23)19-26-24(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-7,9-16,24,26H,8,18-19H2,1H3.
What are the key properties of 3-[4-[(benzhydrylamino)methyl]-N-methylanilino]propanenitrile?
3-[4-[(benzhydrylamino)methyl]-N-methylanilino]propanenitrile has a molecular weight of 355.49 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(benzhydrylamino)methyl]-N-methylanilino]propanenitrile is sourced from PubChem (CID 32553754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).