sodium N-[diethoxy(oxido)phosphaniumyl]-1-[(2-methylpropan-2-yl)oxy]methanimidate

C9H19NNaO5P — CID 101045889

IUPACsodium N-[diethoxy(oxido)phosphaniumyl]-1-[(2-methylpropan-2-yl)oxy]methanimidate
SMILESCCO[P+]([O-])(N=C([O-])OC(C)(C)C)OCC.[Na+]
InChIInChI=1S/C9H20NO5P.Na/c1-6-13-16(12,14-7-2)10-8(11)15-9(3,4)5;/h6-7H2,1-5H3,(H,10,11,12);/q;+1/p-1
InChIKeyNQUWBFQFXGFYCJ-UHFFFAOYSA-M
MW275.22 g/mol
LogP-2.37
Rot. Bonds5

About sodium N-[diethoxy(oxido)phosphaniumyl]-1-[(2-methylpropan-2-yl)oxy]methanimidate

sodium N-[diethoxy(oxido)phosphaniumyl]-1-[(2-methylpropan-2-yl)oxy]methanimidate (PubChem CID 101045889) has the molecular formula C9H19NNaO5P and a molecular weight of 275.22 g/mol. Its IUPAC name is sodium N-[diethoxy(oxido)phosphaniumyl]-1-[(2-methylpropan-2-yl)oxy]methanimidate.

Molecular Properties

Compound Namesodium N-[diethoxy(oxido)phosphaniumyl]-1-[(2-methylpropan-2-yl)oxy]methanimidate
PubChem CID101045889
Molecular FormulaC9H19NNaO5P
Molecular Weight275.22 g/mol
Exact Mass275.09
IUPAC Namesodium N-[diethoxy(oxido)phosphaniumyl]-1-[(2-methylpropan-2-yl)oxy]methanimidate
SMILESCCO[P+]([O-])(N=C([O-])OC(C)(C)C)OCC.[Na+]
InChIInChI=1S/C9H20NO5P.Na/c1-6-13-16(12,14-7-2)10-8(11)15-9(3,4)5;/h6-7H2,1-5H3,(H,10,11,12);/q;+1/p-1
InChIKeyNQUWBFQFXGFYCJ-UHFFFAOYSA-M
XLogP-2.37
TPSA86.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 5-2.37
H-Bond Donors ≤ 50
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': 'phosphor', 'substructure': 'N/A'}

Analyze sodium N-[diethoxy(oxido)phosphaniumyl]-1-[(2-methylpropan-2-yl)oxy]methanimidate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1,3-bis(methylsulfonyloxy)propan-2-yl]-1-[(2-methylpropan-2-yl)oxy]methanimidate
CID 59283234
lithium N-but-3-en-2-yl-1-[(2-methylpropan-2-yl)oxy]methanimidate
CID 101354915
N-[(2S)-1-fluoro-1-oxopropan-2-yl]-1-[(2-methylpropan-2-yl)oxy]methanimidate
CID 59628500
tert-butyl 3,3-diethoxypropanoate
CID 13066056
lithium N-[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]-1-[(2-methylpropan-2-yl)oxy]methanimidate
CID 101032578
tert-butyl 2-amino-2-ethoxyacetate
CID 151650048
2-(2,2-diethoxyethoxy)-2-methylpropane
CID 63628405
tert-butyl N-(4,4-diethoxybutyl)carbamate
CID 11196290
tert-butyl 2-amino-2-diethoxyphosphorylacetate
CID 10945397
[2-ethyl-1-[(2-methylpropan-2-yl)oxy]butylidene]-oxidooxidanium
CID 141279891
(2S)-2-(methylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoate
CID 134129434
lithium 1-[(2-methylpropan-2-yl)oxy]ethenolate
CID 10464342

Frequently Asked Questions

What is the IUPAC name of sodium N-[diethoxy(oxido)phosphaniumyl]-1-[(2-methylpropan-2-yl)oxy]methanimidate?
The IUPAC name of sodium N-[diethoxy(oxido)phosphaniumyl]-1-[(2-methylpropan-2-yl)oxy]methanimidate (CID 101045889) is sodium N-[diethoxy(oxido)phosphaniumyl]-1-[(2-methylpropan-2-yl)oxy]methanimidate.
What is the SMILES notation for sodium N-[diethoxy(oxido)phosphaniumyl]-1-[(2-methylpropan-2-yl)oxy]methanimidate?
The canonical SMILES for sodium N-[diethoxy(oxido)phosphaniumyl]-1-[(2-methylpropan-2-yl)oxy]methanimidate is CCO[P+]([O-])(N=C([O-])OC(C)(C)C)OCC.[Na+].
What is the InChIKey of sodium N-[diethoxy(oxido)phosphaniumyl]-1-[(2-methylpropan-2-yl)oxy]methanimidate?
The InChIKey is NQUWBFQFXGFYCJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H20NO5P.Na/c1-6-13-16(12,14-7-2)10-8(11)15-9(3,4)5;/h6-7H2,1-5H3,(H,10,11,12);/q;+1/p-1.
What are the key properties of sodium N-[diethoxy(oxido)phosphaniumyl]-1-[(2-methylpropan-2-yl)oxy]methanimidate?
sodium N-[diethoxy(oxido)phosphaniumyl]-1-[(2-methylpropan-2-yl)oxy]methanimidate has a molecular weight of 275.22 g/mol, XLogP of -2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-[diethoxy(oxido)phosphaniumyl]-1-[(2-methylpropan-2-yl)oxy]methanimidate is sourced from PubChem (CID 101045889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).