methyl 2-diphenylphosphoryl-2-[2-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenyl]acetate

C24H24NO4P — CID 102293561

IUPACmethyl 2-diphenylphosphoryl-2-[2-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenyl]acetate
SMILESCO/N=C(/C)c1ccccc1C(C(=O)OC)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24NO4P/c1-18(25-29-3)21-16-10-11-17-22(21)23(24(26)28-2)30(27,19-12-6-4-7-13-19)20-14-8-5-9-15-20/h4-17,23H,1-3H3/b25-18-
InChIKeyIZBTTXMTMFKIMI-BWAHOGKJSA-N
MW421.43 g/mol
LogP4.29
Rot. Bonds7

About methyl 2-diphenylphosphoryl-2-[2-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenyl]acetate

methyl 2-diphenylphosphoryl-2-[2-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenyl]acetate (PubChem CID 102293561) has the molecular formula C24H24NO4P and a molecular weight of 421.43 g/mol. Its IUPAC name is methyl 2-diphenylphosphoryl-2-[2-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-diphenylphosphoryl-2-[2-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenyl]acetate
PubChem CID102293561
Molecular FormulaC24H24NO4P
Molecular Weight421.43 g/mol
Exact Mass421.14
IUPAC Namemethyl 2-diphenylphosphoryl-2-[2-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenyl]acetate
SMILESCO/N=C(/C)c1ccccc1C(C(=O)OC)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24NO4P/c1-18(25-29-3)21-16-10-11-17-22(21)23(24(26)28-2)30(27,19-12-6-4-7-13-19)20-14-8-5-9-15-20/h4-17,23H,1-3H3/b25-18-
InChIKeyIZBTTXMTMFKIMI-BWAHOGKJSA-N
XLogP4.29
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.43
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R)-2-diphenylphosphoryl-2-hydroxyacetate
CID 819526
ethane;1-(2-hydroxyphenyl)ethanone;2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenol
CID 172964742
(Z)-1-(2-ethylphenyl)-N-methoxyethanimine
CID 59119889
dimethyl 2-(2-acetylphenyl)propanedioate
CID 102293568
N-[2-(N-methoxy-C-methylcarbonimidoyl)phenyl]-N-propan-2-ylcarbamoyl chloride
CID 54328671
(Z)-1-(2-fluorophenyl)-N-methoxyethanimine
CID 18416418
methyl (2S)-2-dimethoxyphosphoryl-2-phenylacetate
CID 129384892
4-diphenylphosphorylpentan-2-one
CID 13202508
methyl (2S)-2-[[(2E)-1-diphenylphosphoryl-2-hydroxyiminopropyl]amino]-3-phenylpropanoate
CID 16741928
methyl (2S)-2-benzamidopropanoate
CID 6364617
2-(2-ethoxyphenyl)-2-methoxyiminoacetic acid
CID 56981988
N-methoxy-1-[2-(phosphanyloxymethyl)phenyl]ethanimine
CID 72608293

Frequently Asked Questions

What is the IUPAC name of methyl 2-diphenylphosphoryl-2-[2-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenyl]acetate?
The IUPAC name of methyl 2-diphenylphosphoryl-2-[2-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenyl]acetate (CID 102293561) is methyl 2-diphenylphosphoryl-2-[2-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenyl]acetate.
What is the SMILES notation for methyl 2-diphenylphosphoryl-2-[2-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenyl]acetate?
The canonical SMILES for methyl 2-diphenylphosphoryl-2-[2-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenyl]acetate is CO/N=C(/C)c1ccccc1C(C(=O)OC)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 2-diphenylphosphoryl-2-[2-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenyl]acetate?
The InChIKey is IZBTTXMTMFKIMI-BWAHOGKJSA-N. The full InChI is InChI=1S/C24H24NO4P/c1-18(25-29-3)21-16-10-11-17-22(21)23(24(26)28-2)30(27,19-12-6-4-7-13-19)20-14-8-5-9-15-20/h4-17,23H,1-3H3/b25-18-.
What are the key properties of methyl 2-diphenylphosphoryl-2-[2-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenyl]acetate?
methyl 2-diphenylphosphoryl-2-[2-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenyl]acetate has a molecular weight of 421.43 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-diphenylphosphoryl-2-[2-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenyl]acetate is sourced from PubChem (CID 102293561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).