[(E)-2-[acetyl(benzyl)amino]-2-phenylethenyl] selenocyanate

C18H16N2OSe — CID 155677965

IUPAC[(E)-2-[acetyl(benzyl)amino]-2-phenylethenyl] selenocyanate
SMILESCC(=O)N(Cc1ccccc1)/C(=C/[Se]C#N)c1ccccc1
InChIInChI=1S/C18H16N2OSe/c1-15(21)20(12-16-8-4-2-5-9-16)18(13-22-14-19)17-10-6-3-7-11-17/h2-11,13H,12H2,1H3/b18-13+
InChIKeyMGNJJGRZMXAKIE-QGOAFFKASA-N
MW355.30 g/mol
LogP3.22
Rot. Bonds5

About [(E)-2-[acetyl(benzyl)amino]-2-phenylethenyl] selenocyanate

[(E)-2-[acetyl(benzyl)amino]-2-phenylethenyl] selenocyanate (PubChem CID 155677965) has the molecular formula C18H16N2OSe and a molecular weight of 355.30 g/mol. Its IUPAC name is [(E)-2-[acetyl(benzyl)amino]-2-phenylethenyl] selenocyanate.

Molecular Properties

Compound Name[(E)-2-[acetyl(benzyl)amino]-2-phenylethenyl] selenocyanate
PubChem CID155677965
Molecular FormulaC18H16N2OSe
Molecular Weight355.30 g/mol
Exact Mass356.04
IUPAC Name[(E)-2-[acetyl(benzyl)amino]-2-phenylethenyl] selenocyanate
SMILESCC(=O)N(Cc1ccccc1)/C(=C/[Se]C#N)c1ccccc1
InChIInChI=1S/C18H16N2OSe/c1-15(21)20(12-16-8-4-2-5-9-16)18(13-22-14-19)17-10-6-3-7-11-17/h2-11,13H,12H2,1H3/b18-13+
InChIKeyMGNJJGRZMXAKIE-QGOAFFKASA-N
XLogP3.22
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.30
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(E)-2-[acetyl(benzyl)amino]-2-phenylethenyl] selenocyanate with MolForge

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

Launch Full Analysis

Related Compounds

[2-[acetyl(benzyl)amino]-2-(4-chlorophenyl)ethenyl] thiocyanate
CID 175069301
[2-[acetyl(benzyl)amino]-2-[4-(trifluoromethyl)phenyl]ethenyl] thiocyanate
CID 175347019
[(E)-2-[acetyl-[(2-bromophenyl)methyl]amino]-2-phenylethenyl] thiocyanate
CID 155677963
[2-[acetyl-[(2-bromophenyl)methyl]amino]-2-phenylethenyl] thiocyanate
CID 175070427
N-benzyl-N-[(Z)-1-naphthalen-2-yl-2-phenylethenyl]acetamide
CID 102487066
N-benzyl-N-[(1Z)-3-methyl-1-phenylbuta-1,3-dien-2-yl]acetamide
CID 89172718
N-benzyl-N-[(1S)-1-cyano-2,2-dimethylpropyl]acetamide
CID 102158521
N-benzyl-N-[1-(4-nitrophenyl)ethenyl]acetamide
CID 176893369
2-[[acetyl(benzyl)carbamoyl]amino]-2-phenylacetic acid
CID 21444742
N-benzyl-N-phenacylacetamide
CID 10587901
methyl 2-[acetyl(benzyl)amino]prop-2-enoate
CID 11776154
N-benzyl-N-[(1Z,3E)-1-(2-methylphenyl)-4-trimethylsilylbuta-1,3-dienyl]acetamide
CID 176893365

Frequently Asked Questions

What is the IUPAC name of [(E)-2-[acetyl(benzyl)amino]-2-phenylethenyl] selenocyanate?
The IUPAC name of [(E)-2-[acetyl(benzyl)amino]-2-phenylethenyl] selenocyanate (CID 155677965) is [(E)-2-[acetyl(benzyl)amino]-2-phenylethenyl] selenocyanate.
What is the SMILES notation for [(E)-2-[acetyl(benzyl)amino]-2-phenylethenyl] selenocyanate?
The canonical SMILES for [(E)-2-[acetyl(benzyl)amino]-2-phenylethenyl] selenocyanate is CC(=O)N(Cc1ccccc1)/C(=C/[Se]C#N)c1ccccc1.
What is the InChIKey of [(E)-2-[acetyl(benzyl)amino]-2-phenylethenyl] selenocyanate?
The InChIKey is MGNJJGRZMXAKIE-QGOAFFKASA-N. The full InChI is InChI=1S/C18H16N2OSe/c1-15(21)20(12-16-8-4-2-5-9-16)18(13-22-14-19)17-10-6-3-7-11-17/h2-11,13H,12H2,1H3/b18-13+.
What are the key properties of [(E)-2-[acetyl(benzyl)amino]-2-phenylethenyl] selenocyanate?
[(E)-2-[acetyl(benzyl)amino]-2-phenylethenyl] selenocyanate has a molecular weight of 355.30 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-[acetyl(benzyl)amino]-2-phenylethenyl] selenocyanate is sourced from PubChem (CID 155677965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).