(N-anilino-C-methylcarbonimidoyl)oxyphosphanyl N-phenylethanehydrazonate

C16H19N4O2P — CID 175029527

IUPAC(N-anilino-C-methylcarbonimidoyl)oxyphosphanyl N-phenylethanehydrazonate
SMILESCC(=NNc1ccccc1)OPOC(C)=NNc1ccccc1
InChIInChI=1S/C16H19N4O2P/c1-13(17-19-15-9-5-3-6-10-15)21-23-22-14(2)18-20-16-11-7-4-8-12-16/h3-12,19-20,23H,1-2H3
InChIKeyJYIDTKBMVOOHBA-UHFFFAOYSA-N
MW330.33 g/mol
LogP4.42
Rot. Bonds6

About (N-anilino-C-methylcarbonimidoyl)oxyphosphanyl N-phenylethanehydrazonate

(N-anilino-C-methylcarbonimidoyl)oxyphosphanyl N-phenylethanehydrazonate (PubChem CID 175029527) has the molecular formula C16H19N4O2P and a molecular weight of 330.33 g/mol. Its IUPAC name is (N-anilino-C-methylcarbonimidoyl)oxyphosphanyl N-phenylethanehydrazonate.

Molecular Properties

Compound Name(N-anilino-C-methylcarbonimidoyl)oxyphosphanyl N-phenylethanehydrazonate
PubChem CID175029527
Molecular FormulaC16H19N4O2P
Molecular Weight330.33 g/mol
Exact Mass330.12
IUPAC Name(N-anilino-C-methylcarbonimidoyl)oxyphosphanyl N-phenylethanehydrazonate
SMILESCC(=NNc1ccccc1)OPOC(C)=NNc1ccccc1
InChIInChI=1S/C16H19N4O2P/c1-13(17-19-15-9-5-3-6-10-15)21-23-22-14(2)18-20-16-11-7-4-8-12-16/h3-12,19-20,23H,1-2H3
InChIKeyJYIDTKBMVOOHBA-UHFFFAOYSA-N
XLogP4.42
TPSA67.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(1E)-N-phenylethanehydrazonoyl fluoride
CID 118400249
N-[(Z)-3-methylbutan-2-ylideneamino]aniline
CID 5484372
ethane;N-[(Z)-1-phenylethylideneamino]aniline
CID 91599108
N-(3,3-dimethylbutan-2-ylideneamino)aniline
CID 85176493
2-(N-anilino-C-methylcarbonimidoyl)benzoic acid
CID 2768362
N'-anilino-2-oxopropanimidamide
CID 6340113
N-[(E)-1-(2-methoxyphenyl)ethylideneamino]aniline
CID 15349196
[(Z)-[(3Z)-3-(phenylhydrazinylidene)butan-2-ylidene]amino] acetate
CID 6413961
N-[(E)-4,4-dimethylpentan-2-ylideneamino]aniline
CID 14914436
methyl (4E)-4-(phenylhydrazinylidene)pentanoate
CID 5355076
N'-phenyl-3-(phenylhydrazinylidene)butanehydrazide
CID 5122748
N-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]aniline
CID 6256661

Frequently Asked Questions

What is the IUPAC name of (N-anilino-C-methylcarbonimidoyl)oxyphosphanyl N-phenylethanehydrazonate?
The IUPAC name of (N-anilino-C-methylcarbonimidoyl)oxyphosphanyl N-phenylethanehydrazonate (CID 175029527) is (N-anilino-C-methylcarbonimidoyl)oxyphosphanyl N-phenylethanehydrazonate.
What is the SMILES notation for (N-anilino-C-methylcarbonimidoyl)oxyphosphanyl N-phenylethanehydrazonate?
The canonical SMILES for (N-anilino-C-methylcarbonimidoyl)oxyphosphanyl N-phenylethanehydrazonate is CC(=NNc1ccccc1)OPOC(C)=NNc1ccccc1.
What is the InChIKey of (N-anilino-C-methylcarbonimidoyl)oxyphosphanyl N-phenylethanehydrazonate?
The InChIKey is JYIDTKBMVOOHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N4O2P/c1-13(17-19-15-9-5-3-6-10-15)21-23-22-14(2)18-20-16-11-7-4-8-12-16/h3-12,19-20,23H,1-2H3.
What are the key properties of (N-anilino-C-methylcarbonimidoyl)oxyphosphanyl N-phenylethanehydrazonate?
(N-anilino-C-methylcarbonimidoyl)oxyphosphanyl N-phenylethanehydrazonate has a molecular weight of 330.33 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (N-anilino-C-methylcarbonimidoyl)oxyphosphanyl N-phenylethanehydrazonate is sourced from PubChem (CID 175029527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).