(Z)-3-diethoxyphosphoryl-N-phenylmethoxypropan-1-imine

C14H22NO4P — CID 102508862

IUPAC(Z)-3-diethoxyphosphoryl-N-phenylmethoxypropan-1-imine
SMILESCCOP(=O)(CC/C=N\OCc1ccccc1)OCC
InChIInChI=1S/C14H22NO4P/c1-3-18-20(16,19-4-2)12-8-11-15-17-13-14-9-6-5-7-10-14/h5-7,9-11H,3-4,8,12-13H2,1-2H3/b15-11-
InChIKeyNLSGVJPFNBZVOO-PTNGSMBKSA-N
MW299.31 g/mol
LogP3.85
Rot. Bonds10

About (Z)-3-diethoxyphosphoryl-N-phenylmethoxypropan-1-imine

(Z)-3-diethoxyphosphoryl-N-phenylmethoxypropan-1-imine (PubChem CID 102508862) has the molecular formula C14H22NO4P and a molecular weight of 299.31 g/mol. Its IUPAC name is (Z)-3-diethoxyphosphoryl-N-phenylmethoxypropan-1-imine.

Molecular Properties

Compound Name(Z)-3-diethoxyphosphoryl-N-phenylmethoxypropan-1-imine
PubChem CID102508862
Molecular FormulaC14H22NO4P
Molecular Weight299.31 g/mol
Exact Mass299.13
IUPAC Name(Z)-3-diethoxyphosphoryl-N-phenylmethoxypropan-1-imine
SMILESCCOP(=O)(CC/C=N\OCc1ccccc1)OCC
InChIInChI=1S/C14H22NO4P/c1-3-18-20(16,19-4-2)12-8-11-15-17-13-14-9-6-5-7-10-14/h5-7,9-11H,3-4,8,12-13H2,1-2H3/b15-11-
InChIKeyNLSGVJPFNBZVOO-PTNGSMBKSA-N
XLogP3.85
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 53.85
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

2-diethoxyphosphorylethylbenzene
CID 3448525
(E)-N-phenylmethoxyheptan-1-imine
CID 88959136
(6E)-6-phenylmethoxyiminohexanal
CID 14120171
(4E)-4-phenylmethoxyiminobutan-2-one
CID 58674288
(E)-4-[(2R)-3-methylbutan-2-yl]oxy-N-phenylmethoxybutan-1-imine
CID 59445415
2-phenylmethoxyiminoacetaldehyde
CID 56611193
(E)-2-bromo-N-phenylmethoxyethanimine
CID 53381097
1-diethoxyphosphoryl-N-phenylmethoxymethanamine
CID 11832560
2-[4-(4-diethoxyphosphoryl-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyethoxymethylbenzene
CID 138624959
N-(2-diethoxyphosphorylethyl)-1-phenylmethanimine
CID 172686597
bis(phenylmethoxy)phosphorylboranuide
CID 157313450
2-diethoxyphosphorylethylsulfinylbenzene
CID 12956686

Frequently Asked Questions

What is the IUPAC name of (Z)-3-diethoxyphosphoryl-N-phenylmethoxypropan-1-imine?
The IUPAC name of (Z)-3-diethoxyphosphoryl-N-phenylmethoxypropan-1-imine (CID 102508862) is (Z)-3-diethoxyphosphoryl-N-phenylmethoxypropan-1-imine.
What is the SMILES notation for (Z)-3-diethoxyphosphoryl-N-phenylmethoxypropan-1-imine?
The canonical SMILES for (Z)-3-diethoxyphosphoryl-N-phenylmethoxypropan-1-imine is CCOP(=O)(CC/C=N\OCc1ccccc1)OCC.
What is the InChIKey of (Z)-3-diethoxyphosphoryl-N-phenylmethoxypropan-1-imine?
The InChIKey is NLSGVJPFNBZVOO-PTNGSMBKSA-N. The full InChI is InChI=1S/C14H22NO4P/c1-3-18-20(16,19-4-2)12-8-11-15-17-13-14-9-6-5-7-10-14/h5-7,9-11H,3-4,8,12-13H2,1-2H3/b15-11-.
What are the key properties of (Z)-3-diethoxyphosphoryl-N-phenylmethoxypropan-1-imine?
(Z)-3-diethoxyphosphoryl-N-phenylmethoxypropan-1-imine has a molecular weight of 299.31 g/mol, XLogP of 3.85, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-diethoxyphosphoryl-N-phenylmethoxypropan-1-imine is sourced from PubChem (CID 102508862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).