2-[naphthalen-2-ylmethyl-[[4-(2-phenylethyl)phenyl]methyl]amino]acetonitrile

C28H26N2 — CID 10318252

IUPAC2-[naphthalen-2-ylmethyl-[[4-(2-phenylethyl)phenyl]methyl]amino]acetonitrile
SMILESN#CCN(Cc1ccc(CCc2ccccc2)cc1)Cc1ccc2ccccc2c1
InChIInChI=1S/C28H26N2/c29-18-19-30(22-26-16-17-27-8-4-5-9-28(27)20-26)21-25-14-12-24(13-15-25)11-10-23-6-2-1-3-7-23/h1-9,12-17,20H,10-11,19,21-22H2
InChIKeyUTXBYDLVNOWKPG-UHFFFAOYSA-N
MW390.53 g/mol
LogP6.15
Rot. Bonds8

About 2-[naphthalen-2-ylmethyl-[[4-(2-phenylethyl)phenyl]methyl]amino]acetonitrile

2-[naphthalen-2-ylmethyl-[[4-(2-phenylethyl)phenyl]methyl]amino]acetonitrile (PubChem CID 10318252) has the molecular formula C28H26N2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 2-[naphthalen-2-ylmethyl-[[4-(2-phenylethyl)phenyl]methyl]amino]acetonitrile.

Molecular Properties

Compound Name2-[naphthalen-2-ylmethyl-[[4-(2-phenylethyl)phenyl]methyl]amino]acetonitrile
PubChem CID10318252
Molecular FormulaC28H26N2
Molecular Weight390.53 g/mol
Exact Mass390.21
IUPAC Name2-[naphthalen-2-ylmethyl-[[4-(2-phenylethyl)phenyl]methyl]amino]acetonitrile
SMILESN#CCN(Cc1ccc(CCc2ccccc2)cc1)Cc1ccc2ccccc2c1
InChIInChI=1S/C28H26N2/c29-18-19-30(22-26-16-17-27-8-4-5-9-28(27)20-26)21-25-14-12-24(13-15-25)11-10-23-6-2-1-3-7-23/h1-9,12-17,20H,10-11,19,21-22H2
InChIKeyUTXBYDLVNOWKPG-UHFFFAOYSA-N
XLogP6.15
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[naphthalen-2-ylmethyl-[[4-(2-phenylethyl)phenyl]methyl]amino]acetonitrile 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 2-[naphthalen-2-ylmethyl-[[4-(2-phenylethyl)phenyl]methyl]amino]acetonitrile?
The IUPAC name of 2-[naphthalen-2-ylmethyl-[[4-(2-phenylethyl)phenyl]methyl]amino]acetonitrile (CID 10318252) is 2-[naphthalen-2-ylmethyl-[[4-(2-phenylethyl)phenyl]methyl]amino]acetonitrile.
What is the SMILES notation for 2-[naphthalen-2-ylmethyl-[[4-(2-phenylethyl)phenyl]methyl]amino]acetonitrile?
The canonical SMILES for 2-[naphthalen-2-ylmethyl-[[4-(2-phenylethyl)phenyl]methyl]amino]acetonitrile is N#CCN(Cc1ccc(CCc2ccccc2)cc1)Cc1ccc2ccccc2c1.
What is the InChIKey of 2-[naphthalen-2-ylmethyl-[[4-(2-phenylethyl)phenyl]methyl]amino]acetonitrile?
The InChIKey is UTXBYDLVNOWKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2/c29-18-19-30(22-26-16-17-27-8-4-5-9-28(27)20-26)21-25-14-12-24(13-15-25)11-10-23-6-2-1-3-7-23/h1-9,12-17,20H,10-11,19,21-22H2.
What are the key properties of 2-[naphthalen-2-ylmethyl-[[4-(2-phenylethyl)phenyl]methyl]amino]acetonitrile?
2-[naphthalen-2-ylmethyl-[[4-(2-phenylethyl)phenyl]methyl]amino]acetonitrile has a molecular weight of 390.53 g/mol, XLogP of 6.15, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[naphthalen-2-ylmethyl-[[4-(2-phenylethyl)phenyl]methyl]amino]acetonitrile is sourced from PubChem (CID 10318252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).