dimethoxy(oxo)phosphanium;N-[(2S)-1-dimethoxyphosphoryl-1-hydroxypropan-2-yl]-N-ethylacetamide;N-ethyl-N-[(2S)-1-oxopropan-2-yl]acetamide

C18H39N2O10P2+ — CID 159249242

IUPACdimethoxy(oxo)phosphanium;N-[(2S)-1-dimethoxyphosphoryl-1-hydroxypropan-2-yl]-N-ethylacetamide;N-ethyl-N-[(2S)-1-oxopropan-2-yl]acetamide
SMILESCCN(C(C)=O)[C@@H](C)C(O)P(=O)(OC)OC.CCN(C(C)=O)[C@@H](C)C=O.CO[P+](=O)OC
InChIInChI=1S/C9H20NO5P.C7H13NO2.C2H6O3P/c1-6-10(8(3)11)7(2)9(12)16(13,14-4)15-5;1-4-8(7(3)10)6(2)5-9;1-4-6(3)5-2/h7,9,12H,6H2,1-5H3;5-6H,4H2,1-3H3;1-2H3/q;;+1/t7-,9?;6-;/m00./s1
InChIKeyUTBVRXMLDJUNAQ-XVLFFWJTSA-N
MW505.46 g/mol
LogP2.43
Rot. Bonds11

About dimethoxy(oxo)phosphanium;N-[(2S)-1-dimethoxyphosphoryl-1-hydroxypropan-2-yl]-N-ethylacetamide;N-ethyl-N-[(2S)-1-oxopropan-2-yl]acetamide

dimethoxy(oxo)phosphanium;N-[(2S)-1-dimethoxyphosphoryl-1-hydroxypropan-2-yl]-N-ethylacetamide;N-ethyl-N-[(2S)-1-oxopropan-2-yl]acetamide (PubChem CID 159249242) has the molecular formula C18H39N2O10P2+ and a molecular weight of 505.46 g/mol. Its IUPAC name is dimethoxy(oxo)phosphanium;N-[(2S)-1-dimethoxyphosphoryl-1-hydroxypropan-2-yl]-N-ethylacetamide;N-ethyl-N-[(2S)-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound Namedimethoxy(oxo)phosphanium;N-[(2S)-1-dimethoxyphosphoryl-1-hydroxypropan-2-yl]-N-ethylacetamide;N-ethyl-N-[(2S)-1-oxopropan-2-yl]acetamide
PubChem CID159249242
Molecular FormulaC18H39N2O10P2+
Molecular Weight505.46 g/mol
Exact Mass505.21
IUPAC Namedimethoxy(oxo)phosphanium;N-[(2S)-1-dimethoxyphosphoryl-1-hydroxypropan-2-yl]-N-ethylacetamide;N-ethyl-N-[(2S)-1-oxopropan-2-yl]acetamide
SMILESCCN(C(C)=O)[C@@H](C)C(O)P(=O)(OC)OC.CCN(C(C)=O)[C@@H](C)C=O.CO[P+](=O)OC
InChIInChI=1S/C9H20NO5P.C7H13NO2.C2H6O3P/c1-6-10(8(3)11)7(2)9(12)16(13,14-4)15-5;1-4-8(7(3)10)6(2)5-9;1-4-6(3)5-2/h7,9,12H,6H2,1-5H3;5-6H,4H2,1-3H3;1-2H3/q;;+1/t7-,9?;6-;/m00./s1
InChIKeyUTBVRXMLDJUNAQ-XVLFFWJTSA-N
XLogP2.43
TPSA148.98 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-(5-hydroxyhexan-2-yl)acetamide
CID 143568187
1-dimethoxyphosphorylpropane-1,2-diol
CID 74820780
(1S,2S)-1-dimethoxyphosphorylpropane-1,2-diol
CID 42612314
N-benzyl-N-(1-oxopropan-2-yl)acetamide
CID 19757605
2-[hydroperoxy(methoxy)phosphoryl]propanal
CID 175986894
acetic acid;N,N-dimethylformamide;methoxymethane;propane-1,2-diol
CID 174945184
N-methyl-N-(3-methyl-1-oxopentan-2-yl)acetamide
CID 19757608
N-[(2S)-3,3-dimethylbutan-2-yl]-N-ethylacetamide
CID 126737316
N-methyl-N-(1-oxopropan-2-yl)propanamide
CID 19757607
3,3-bis(dimethoxyphosphoryl)propanal
CID 19418486
1-dimethoxyphosphoryl-1-methoxypropan-2-one
CID 87461484
N-ethyl-2-methyl-N-propan-2-ylbut-2-enamide
CID 123568931

Frequently Asked Questions

What is the IUPAC name of dimethoxy(oxo)phosphanium;N-[(2S)-1-dimethoxyphosphoryl-1-hydroxypropan-2-yl]-N-ethylacetamide;N-ethyl-N-[(2S)-1-oxopropan-2-yl]acetamide?
The IUPAC name of dimethoxy(oxo)phosphanium;N-[(2S)-1-dimethoxyphosphoryl-1-hydroxypropan-2-yl]-N-ethylacetamide;N-ethyl-N-[(2S)-1-oxopropan-2-yl]acetamide (CID 159249242) is dimethoxy(oxo)phosphanium;N-[(2S)-1-dimethoxyphosphoryl-1-hydroxypropan-2-yl]-N-ethylacetamide;N-ethyl-N-[(2S)-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for dimethoxy(oxo)phosphanium;N-[(2S)-1-dimethoxyphosphoryl-1-hydroxypropan-2-yl]-N-ethylacetamide;N-ethyl-N-[(2S)-1-oxopropan-2-yl]acetamide?
The canonical SMILES for dimethoxy(oxo)phosphanium;N-[(2S)-1-dimethoxyphosphoryl-1-hydroxypropan-2-yl]-N-ethylacetamide;N-ethyl-N-[(2S)-1-oxopropan-2-yl]acetamide is CCN(C(C)=O)[C@@H](C)C(O)P(=O)(OC)OC.CCN(C(C)=O)[C@@H](C)C=O.CO[P+](=O)OC.
What is the InChIKey of dimethoxy(oxo)phosphanium;N-[(2S)-1-dimethoxyphosphoryl-1-hydroxypropan-2-yl]-N-ethylacetamide;N-ethyl-N-[(2S)-1-oxopropan-2-yl]acetamide?
The InChIKey is UTBVRXMLDJUNAQ-XVLFFWJTSA-N. The full InChI is InChI=1S/C9H20NO5P.C7H13NO2.C2H6O3P/c1-6-10(8(3)11)7(2)9(12)16(13,14-4)15-5;1-4-8(7(3)10)6(2)5-9;1-4-6(3)5-2/h7,9,12H,6H2,1-5H3;5-6H,4H2,1-3H3;1-2H3/q;;+1/t7-,9?;6-;/m00./s1.
What are the key properties of dimethoxy(oxo)phosphanium;N-[(2S)-1-dimethoxyphosphoryl-1-hydroxypropan-2-yl]-N-ethylacetamide;N-ethyl-N-[(2S)-1-oxopropan-2-yl]acetamide?
dimethoxy(oxo)phosphanium;N-[(2S)-1-dimethoxyphosphoryl-1-hydroxypropan-2-yl]-N-ethylacetamide;N-ethyl-N-[(2S)-1-oxopropan-2-yl]acetamide has a molecular weight of 505.46 g/mol, XLogP of 2.43, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy(oxo)phosphanium;N-[(2S)-1-dimethoxyphosphoryl-1-hydroxypropan-2-yl]-N-ethylacetamide;N-ethyl-N-[(2S)-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 159249242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).