(NE)-N-(1-diethoxyphosphoryl-1-ethoxy-1-phenylpropan-2-ylidene)hydroxylamine

C15H24NO5P — CID 10065135

IUPAC(NE)-N-(1-diethoxyphosphoryl-1-ethoxy-1-phenylpropan-2-ylidene)hydroxylamine
SMILESCCOC(/C(C)=N/O)(c1ccccc1)P(=O)(OCC)OCC
InChIInChI=1S/C15H24NO5P/c1-5-19-15(13(4)16-17,14-11-9-8-10-12-14)22(18,20-6-2)21-7-3/h8-12,17H,5-7H2,1-4H3/b16-13+
InChIKeyNSVSBKADIHSMNV-DTQAZKPQSA-N
MW329.33 g/mol
LogP3.99
Rot. Bonds9

About (NE)-N-(1-diethoxyphosphoryl-1-ethoxy-1-phenylpropan-2-ylidene)hydroxylamine

(NE)-N-(1-diethoxyphosphoryl-1-ethoxy-1-phenylpropan-2-ylidene)hydroxylamine (PubChem CID 10065135) has the molecular formula C15H24NO5P and a molecular weight of 329.33 g/mol. Its IUPAC name is (NE)-N-(1-diethoxyphosphoryl-1-ethoxy-1-phenylpropan-2-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(1-diethoxyphosphoryl-1-ethoxy-1-phenylpropan-2-ylidene)hydroxylamine
PubChem CID10065135
Molecular FormulaC15H24NO5P
Molecular Weight329.33 g/mol
Exact Mass329.14
IUPAC Name(NE)-N-(1-diethoxyphosphoryl-1-ethoxy-1-phenylpropan-2-ylidene)hydroxylamine
SMILESCCOC(/C(C)=N/O)(c1ccccc1)P(=O)(OCC)OCC
InChIInChI=1S/C15H24NO5P/c1-5-19-15(13(4)16-17,14-11-9-8-10-12-14)22(18,20-6-2)21-7-3/h8-12,17H,5-7H2,1-4H3/b16-13+
InChIKeyNSVSBKADIHSMNV-DTQAZKPQSA-N
XLogP3.99
TPSA77.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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
1-diethoxyphosphoryl-N-hydroxy-1,1-diphenylpropan-2-imine oxide
CID 10068150
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
[(1-diethoxyphosphoryl-1-ethoxyethyl)-ethoxyphosphoryl]benzene
CID 86588252
N-[bis(diethoxyphosphoryl)-phenylmethyl]formamide
CID 132564098
(NE)-N-(3,3-diphenylbutan-2-ylidene)hydroxylamine
CID 15259766
1-(4-chlorophenoxy)-1-(4-chlorophenyl)-1-diethoxyphosphorylpropan-2-one
CID 54518539
(2,2-dichloro-2-diethoxyphosphorylethyl)benzene
CID 11141450
(1R)-1-diethoxyphosphoryl-1-naphthalen-2-ylethanol
CID 15260930

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(1-diethoxyphosphoryl-1-ethoxy-1-phenylpropan-2-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(1-diethoxyphosphoryl-1-ethoxy-1-phenylpropan-2-ylidene)hydroxylamine (CID 10065135) is (NE)-N-(1-diethoxyphosphoryl-1-ethoxy-1-phenylpropan-2-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(1-diethoxyphosphoryl-1-ethoxy-1-phenylpropan-2-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(1-diethoxyphosphoryl-1-ethoxy-1-phenylpropan-2-ylidene)hydroxylamine is CCOC(/C(C)=N/O)(c1ccccc1)P(=O)(OCC)OCC.
What is the InChIKey of (NE)-N-(1-diethoxyphosphoryl-1-ethoxy-1-phenylpropan-2-ylidene)hydroxylamine?
The InChIKey is NSVSBKADIHSMNV-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H24NO5P/c1-5-19-15(13(4)16-17,14-11-9-8-10-12-14)22(18,20-6-2)21-7-3/h8-12,17H,5-7H2,1-4H3/b16-13+.
What are the key properties of (NE)-N-(1-diethoxyphosphoryl-1-ethoxy-1-phenylpropan-2-ylidene)hydroxylamine?
(NE)-N-(1-diethoxyphosphoryl-1-ethoxy-1-phenylpropan-2-ylidene)hydroxylamine has a molecular weight of 329.33 g/mol, XLogP of 3.99, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(1-diethoxyphosphoryl-1-ethoxy-1-phenylpropan-2-ylidene)hydroxylamine is sourced from PubChem (CID 10065135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).