ethane;propan-2-yl 2-[[methoxy(phenoxy)phosphoryl]amino]acetate

C16H30NO5P — CID 162736864

IUPACethane;propan-2-yl 2-[[methoxy(phenoxy)phosphoryl]amino]acetate
SMILESCC.CC.COP(=O)(NCC(=O)OC(C)C)Oc1ccccc1
InChIInChI=1S/C12H18NO5P.2C2H6/c1-10(2)17-12(14)9-13-19(15,16-3)18-11-7-5-4-6-8-11;2*1-2/h4-8,10H,9H2,1-3H3,(H,13,15);2*1-2H3
InChIKeyZXJLMTSDBMNMTE-UHFFFAOYSA-N
MW347.39 g/mol
LogP4.41
Rot. Bonds7

About ethane;propan-2-yl 2-[[methoxy(phenoxy)phosphoryl]amino]acetate

ethane;propan-2-yl 2-[[methoxy(phenoxy)phosphoryl]amino]acetate (PubChem CID 162736864) has the molecular formula C16H30NO5P and a molecular weight of 347.39 g/mol. Its IUPAC name is ethane;propan-2-yl 2-[[methoxy(phenoxy)phosphoryl]amino]acetate.

Molecular Properties

Compound Nameethane;propan-2-yl 2-[[methoxy(phenoxy)phosphoryl]amino]acetate
PubChem CID162736864
Molecular FormulaC16H30NO5P
Molecular Weight347.39 g/mol
Exact Mass347.19
IUPAC Nameethane;propan-2-yl 2-[[methoxy(phenoxy)phosphoryl]amino]acetate
SMILESCC.CC.COP(=O)(NCC(=O)OC(C)C)Oc1ccccc1
InChIInChI=1S/C12H18NO5P.2C2H6/c1-10(2)17-12(14)9-13-19(15,16-3)18-11-7-5-4-6-8-11;2*1-2/h4-8,10H,9H2,1-3H3,(H,13,15);2*1-2H3
InChIKeyZXJLMTSDBMNMTE-UHFFFAOYSA-N
XLogP4.41
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-(2-oxo-2-propan-2-yloxyethyl)-phenoxyphosphonamidic acid
CID 162736895
N-(2-oxo-2-propan-2-yloxyethyl)-phenoxyphosphonamidic acid
CID 147905510
methyl 3-bromo-4-[[(2-oxo-2-propan-2-yloxyethyl)amino]-phenoxyphosphoryl]oxybenzoate
CID 145200669
cyclopentyl 2-[[methoxy(phenoxy)phosphoryl]amino]acetate
CID 126605489
propan-2-yl (2S)-2-[[methoxy(phenoxy)phosphoryl]amino]propanoate
CID 90055745
propan-2-yl 2-[[2-methylsulfanylethyl(phenoxy)phosphoryl]amino]acetate
CID 123690303
ethyl 2-(diphenoxyphosphorylamino)acetate
CID 23242085
propan-2-yl 2-[[[(2Z,4E)-3-formyl-4-hydroxy-2-methyl-5-(methylideneamino)hexa-2,4-dienoxy]-phenoxyphosphoryl]amino]acetate
CID 168931345
propan-2-yl (2S)-2-(diphenoxyphosphorylamino)propanoate
CID 90392548
propan-2-yl 2-[[phenoxymethyl(propylsulfanyl)phosphoryl]amino]acetate
CID 123715988
propan-2-yl 2-[[chloro(phenylmethoxy)phosphoryl]amino]acetate
CID 145372538
propane-2,2-diol;propan-2-yl 2-[[[2-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)butoxy]-phenoxyphosphoryl]amino]acetate
CID 177364816

Frequently Asked Questions

What is the IUPAC name of ethane;propan-2-yl 2-[[methoxy(phenoxy)phosphoryl]amino]acetate?
The IUPAC name of ethane;propan-2-yl 2-[[methoxy(phenoxy)phosphoryl]amino]acetate (CID 162736864) is ethane;propan-2-yl 2-[[methoxy(phenoxy)phosphoryl]amino]acetate.
What is the SMILES notation for ethane;propan-2-yl 2-[[methoxy(phenoxy)phosphoryl]amino]acetate?
The canonical SMILES for ethane;propan-2-yl 2-[[methoxy(phenoxy)phosphoryl]amino]acetate is CC.CC.COP(=O)(NCC(=O)OC(C)C)Oc1ccccc1.
What is the InChIKey of ethane;propan-2-yl 2-[[methoxy(phenoxy)phosphoryl]amino]acetate?
The InChIKey is ZXJLMTSDBMNMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18NO5P.2C2H6/c1-10(2)17-12(14)9-13-19(15,16-3)18-11-7-5-4-6-8-11;2*1-2/h4-8,10H,9H2,1-3H3,(H,13,15);2*1-2H3.
What are the key properties of ethane;propan-2-yl 2-[[methoxy(phenoxy)phosphoryl]amino]acetate?
ethane;propan-2-yl 2-[[methoxy(phenoxy)phosphoryl]amino]acetate has a molecular weight of 347.39 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;propan-2-yl 2-[[methoxy(phenoxy)phosphoryl]amino]acetate is sourced from PubChem (CID 162736864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).