N-benzyl-N-[cyano(naphthalen-2-yl)methyl]acetamide

C21H18N2O — CID 24859579

IUPACN-benzyl-N-[cyano(naphthalen-2-yl)methyl]acetamide
SMILESCC(=O)N(Cc1ccccc1)C(C#N)c1ccc2ccccc2c1
InChIInChI=1S/C21H18N2O/c1-16(24)23(15-17-7-3-2-4-8-17)21(14-22)20-12-11-18-9-5-6-10-19(18)13-20/h2-13,21H,15H2,1H3
InChIKeyDIHMVKLLVIQEOF-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.45
Rot. Bonds4

About N-benzyl-N-[cyano(naphthalen-2-yl)methyl]acetamide

N-benzyl-N-[cyano(naphthalen-2-yl)methyl]acetamide (PubChem CID 24859579) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is N-benzyl-N-[cyano(naphthalen-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-[cyano(naphthalen-2-yl)methyl]acetamide
PubChem CID24859579
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC NameN-benzyl-N-[cyano(naphthalen-2-yl)methyl]acetamide
SMILESCC(=O)N(Cc1ccccc1)C(C#N)c1ccc2ccccc2c1
InChIInChI=1S/C21H18N2O/c1-16(24)23(15-17-7-3-2-4-8-17)21(14-22)20-12-11-18-9-5-6-10-19(18)13-20/h2-13,21H,15H2,1H3
InChIKeyDIHMVKLLVIQEOF-UHFFFAOYSA-N
XLogP4.45
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-benzyl-N-[cyano(naphthalen-2-yl)methyl]acetamide 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 N-benzyl-N-[cyano(naphthalen-2-yl)methyl]acetamide?
The IUPAC name of N-benzyl-N-[cyano(naphthalen-2-yl)methyl]acetamide (CID 24859579) is N-benzyl-N-[cyano(naphthalen-2-yl)methyl]acetamide.
What is the SMILES notation for N-benzyl-N-[cyano(naphthalen-2-yl)methyl]acetamide?
The canonical SMILES for N-benzyl-N-[cyano(naphthalen-2-yl)methyl]acetamide is CC(=O)N(Cc1ccccc1)C(C#N)c1ccc2ccccc2c1.
What is the InChIKey of N-benzyl-N-[cyano(naphthalen-2-yl)methyl]acetamide?
The InChIKey is DIHMVKLLVIQEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O/c1-16(24)23(15-17-7-3-2-4-8-17)21(14-22)20-12-11-18-9-5-6-10-19(18)13-20/h2-13,21H,15H2,1H3.
What are the key properties of N-benzyl-N-[cyano(naphthalen-2-yl)methyl]acetamide?
N-benzyl-N-[cyano(naphthalen-2-yl)methyl]acetamide has a molecular weight of 314.39 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[cyano(naphthalen-2-yl)methyl]acetamide is sourced from PubChem (CID 24859579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).