(1Z)-2-methyl-5-oxo-5-phenyl-N-phenylmethoxypentanimidoyl cyanide

C20H20N2O2 — CID 134997849

IUPAC(1Z)-2-methyl-5-oxo-5-phenyl-N-phenylmethoxypentanimidoyl cyanide
SMILESCC(CCC(=O)c1ccccc1)/C(C#N)=N/OCc1ccccc1
InChIInChI=1S/C20H20N2O2/c1-16(12-13-20(23)18-10-6-3-7-11-18)19(14-21)22-24-15-17-8-4-2-5-9-17/h2-11,16H,12-13,15H2,1H3/b22-19+
InChIKeyOMPSFJUNOZNXMY-ZBJSNUHESA-N
MW320.39 g/mol
LogP4.38
Rot. Bonds8

About (1Z)-2-methyl-5-oxo-5-phenyl-N-phenylmethoxypentanimidoyl cyanide

(1Z)-2-methyl-5-oxo-5-phenyl-N-phenylmethoxypentanimidoyl cyanide (PubChem CID 134997849) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is (1Z)-2-methyl-5-oxo-5-phenyl-N-phenylmethoxypentanimidoyl cyanide.

Molecular Properties

Compound Name(1Z)-2-methyl-5-oxo-5-phenyl-N-phenylmethoxypentanimidoyl cyanide
PubChem CID134997849
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name(1Z)-2-methyl-5-oxo-5-phenyl-N-phenylmethoxypentanimidoyl cyanide
SMILESCC(CCC(=O)c1ccccc1)/C(C#N)=N/OCc1ccccc1
InChIInChI=1S/C20H20N2O2/c1-16(12-13-20(23)18-10-6-3-7-11-18)19(14-21)22-24-15-17-8-4-2-5-9-17/h2-11,16H,12-13,15H2,1H3/b22-19+
InChIKeyOMPSFJUNOZNXMY-ZBJSNUHESA-N
XLogP4.38
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z)-2-methyl-5-oxo-5-phenyl-N-phenylmethoxypentanimidoyl cyanide?
The IUPAC name of (1Z)-2-methyl-5-oxo-5-phenyl-N-phenylmethoxypentanimidoyl cyanide (CID 134997849) is (1Z)-2-methyl-5-oxo-5-phenyl-N-phenylmethoxypentanimidoyl cyanide.
What is the SMILES notation for (1Z)-2-methyl-5-oxo-5-phenyl-N-phenylmethoxypentanimidoyl cyanide?
The canonical SMILES for (1Z)-2-methyl-5-oxo-5-phenyl-N-phenylmethoxypentanimidoyl cyanide is CC(CCC(=O)c1ccccc1)/C(C#N)=N/OCc1ccccc1.
What is the InChIKey of (1Z)-2-methyl-5-oxo-5-phenyl-N-phenylmethoxypentanimidoyl cyanide?
The InChIKey is OMPSFJUNOZNXMY-ZBJSNUHESA-N. The full InChI is InChI=1S/C20H20N2O2/c1-16(12-13-20(23)18-10-6-3-7-11-18)19(14-21)22-24-15-17-8-4-2-5-9-17/h2-11,16H,12-13,15H2,1H3/b22-19+.
What are the key properties of (1Z)-2-methyl-5-oxo-5-phenyl-N-phenylmethoxypentanimidoyl cyanide?
(1Z)-2-methyl-5-oxo-5-phenyl-N-phenylmethoxypentanimidoyl cyanide has a molecular weight of 320.39 g/mol, XLogP of 4.38, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-methyl-5-oxo-5-phenyl-N-phenylmethoxypentanimidoyl cyanide is sourced from PubChem (CID 134997849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).