1-diethoxyphosphoryl-N-hydroxy-1,1-diphenylpropan-2-imine oxide

C19H24NO5P — CID 10068150

IUPAC1-diethoxyphosphoryl-N-hydroxy-1,1-diphenylpropan-2-imine oxide
SMILESCCOP(=O)(OCC)C(/C(C)=[N+](/[O-])O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24NO5P/c1-4-24-26(23,25-5-2)19(16(3)20(21)22,17-12-8-6-9-13-17)18-14-10-7-11-15-18/h6-15H,4-5H2,1-3H3,(H,21,22)
InChIKeyRHUCZJRJQVEMHF-UHFFFAOYSA-N
MW377.38 g/mol
LogP4.56
Rot. Bonds8

About 1-diethoxyphosphoryl-N-hydroxy-1,1-diphenylpropan-2-imine oxide

1-diethoxyphosphoryl-N-hydroxy-1,1-diphenylpropan-2-imine oxide (PubChem CID 10068150) has the molecular formula C19H24NO5P and a molecular weight of 377.38 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-N-hydroxy-1,1-diphenylpropan-2-imine oxide.

Molecular Properties

Compound Name1-diethoxyphosphoryl-N-hydroxy-1,1-diphenylpropan-2-imine oxide
PubChem CID10068150
Molecular FormulaC19H24NO5P
Molecular Weight377.38 g/mol
Exact Mass377.14
IUPAC Name1-diethoxyphosphoryl-N-hydroxy-1,1-diphenylpropan-2-imine oxide
SMILESCCOP(=O)(OCC)C(/C(C)=[N+](/[O-])O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24NO5P/c1-4-24-26(23,25-5-2)19(16(3)20(21)22,17-12-8-6-9-13-17)18-14-10-7-11-15-18/h6-15H,4-5H2,1-3H3,(H,21,22)
InChIKeyRHUCZJRJQVEMHF-UHFFFAOYSA-N
XLogP4.56
TPSA81.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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

2-diethoxyphosphoryl-N-hydroxy-2,2-diphenylacetonitrilium
CID 163989684
(NE)-N-(1-diethoxyphosphoryl-1-ethoxy-1-phenylpropan-2-ylidene)hydroxylamine
CID 10065135
1-diethoxyphosphoryl-1-phenyldodecan-1-ol
CID 135062703
2-diethoxyphosphoryl-2-fluoro-2-phenylacetonitrile
CID 15446190
2-chloro-2-diethoxyphosphoryl-2-phenylacetaldehyde
CID 11162104
1,1-bis(diethoxyphosphoryl)-2-phenylethanol
CID 10340585
N-[bis(diethoxyphosphoryl)-phenylmethyl]formamide
CID 132564098
N-[diethoxyphosphoryl(diphenyl)methyl]-4-methylbenzenesulfonamide
CID 15852324
(E)-3-[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]but-2-enoate
CID 152758125
1-[diethoxyphosphoryl(difluoro)methyl]-4-methoxybenzene
CID 15272442
2-chloro-1-(1-diethoxyphosphoryl-1-phenylethyl)-4-nitrobenzene
CID 42644752
[(3S)-3-diethoxyphosphoryl-3-nitropentyl]sulfonylbenzene
CID 102526425

Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphoryl-N-hydroxy-1,1-diphenylpropan-2-imine oxide?
The IUPAC name of 1-diethoxyphosphoryl-N-hydroxy-1,1-diphenylpropan-2-imine oxide (CID 10068150) is 1-diethoxyphosphoryl-N-hydroxy-1,1-diphenylpropan-2-imine oxide.
What is the SMILES notation for 1-diethoxyphosphoryl-N-hydroxy-1,1-diphenylpropan-2-imine oxide?
The canonical SMILES for 1-diethoxyphosphoryl-N-hydroxy-1,1-diphenylpropan-2-imine oxide is CCOP(=O)(OCC)C(/C(C)=[N+](/[O-])O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-diethoxyphosphoryl-N-hydroxy-1,1-diphenylpropan-2-imine oxide?
The InChIKey is RHUCZJRJQVEMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24NO5P/c1-4-24-26(23,25-5-2)19(16(3)20(21)22,17-12-8-6-9-13-17)18-14-10-7-11-15-18/h6-15H,4-5H2,1-3H3,(H,21,22).
What are the key properties of 1-diethoxyphosphoryl-N-hydroxy-1,1-diphenylpropan-2-imine oxide?
1-diethoxyphosphoryl-N-hydroxy-1,1-diphenylpropan-2-imine oxide has a molecular weight of 377.38 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-N-hydroxy-1,1-diphenylpropan-2-imine oxide is sourced from PubChem (CID 10068150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).