2-cyano-N-nitroso-2-phenyl-2-(3,4,5-trimethoxyphenyl)acetamide

C18H17N3O5 — CID 175121114

IUPAC2-cyano-N-nitroso-2-phenyl-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(C(C#N)(C(=O)NN=O)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C18H17N3O5/c1-24-14-9-13(10-15(25-2)16(14)26-3)18(11-19,17(22)20-21-23)12-7-5-4-6-8-12/h4-10H,1-3H3,(H,20,22,23)
InChIKeyPGLPKCXLKPJMJS-UHFFFAOYSA-N
MW355.35 g/mol
LogP2.32
Rot. Bonds7

About 2-cyano-N-nitroso-2-phenyl-2-(3,4,5-trimethoxyphenyl)acetamide

2-cyano-N-nitroso-2-phenyl-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 175121114) has the molecular formula C18H17N3O5 and a molecular weight of 355.35 g/mol. Its IUPAC name is 2-cyano-N-nitroso-2-phenyl-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-nitroso-2-phenyl-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID175121114
Molecular FormulaC18H17N3O5
Molecular Weight355.35 g/mol
Exact Mass355.12
IUPAC Name2-cyano-N-nitroso-2-phenyl-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(C(C#N)(C(=O)NN=O)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C18H17N3O5/c1-24-14-9-13(10-15(25-2)16(14)26-3)18(11-19,17(22)20-21-23)12-7-5-4-6-8-12/h4-10H,1-3H3,(H,20,22,23)
InChIKeyPGLPKCXLKPJMJS-UHFFFAOYSA-N
XLogP2.32
TPSA110.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-2-phenyl-2-(3,4,5-trimethoxyphenyl)acetic acid
CID 139609935
4-methyl-4-phenyl-N-(3,4,5-trimethoxyphenyl)pentanamide
CID 110356184
N'-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzenesulfonohydrazide
CID 2643082
N-(2-methoxyphenyl)-2,2,2-triphenylacetamide
CID 11188554
(4S)-4-(dimethylamino)-2,2-diphenyl-1-(3,4,5-trimethoxyphenyl)pentan-1-one
CID 154665977
(E)-2-benzoyl-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile
CID 5345651
N',N'-diphenyl-2-(3,4,5-trimethoxyphenyl)acetohydrazide
CID 7927150
2-hydroxy-2,2-diphenyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 3486286
[3-methyl-3-(3,4,5-trimethoxyphenyl)butyl] benzoate
CID 138977904
3,4,5-trimethoxy-N-[(E)-1-(4-phenylphenyl)ethylideneamino]benzamide
CID 6005452
2-amino-N-methyl-2-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride
CID 120593249
2-cyano-N-(2-methoxyphenyl)-2-methylpropanamide
CID 60778681

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-nitroso-2-phenyl-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-cyano-N-nitroso-2-phenyl-2-(3,4,5-trimethoxyphenyl)acetamide (CID 175121114) is 2-cyano-N-nitroso-2-phenyl-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-cyano-N-nitroso-2-phenyl-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-cyano-N-nitroso-2-phenyl-2-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(C(C#N)(C(=O)NN=O)c2ccccc2)cc(OC)c1OC.
What is the InChIKey of 2-cyano-N-nitroso-2-phenyl-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is PGLPKCXLKPJMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5/c1-24-14-9-13(10-15(25-2)16(14)26-3)18(11-19,17(22)20-21-23)12-7-5-4-6-8-12/h4-10H,1-3H3,(H,20,22,23).
What are the key properties of 2-cyano-N-nitroso-2-phenyl-2-(3,4,5-trimethoxyphenyl)acetamide?
2-cyano-N-nitroso-2-phenyl-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 355.35 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-nitroso-2-phenyl-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 175121114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).