ethane;N-(2-oxo-2-propan-2-yloxyethyl)-phenoxyphosphonamidic acid

C15H28NO5P — CID 162736895

IUPACethane;N-(2-oxo-2-propan-2-yloxyethyl)-phenoxyphosphonamidic acid
SMILESCC.CC.CC(C)OC(=O)CNP(=O)(O)Oc1ccccc1
InChIInChI=1S/C11H16NO5P.2C2H6/c1-9(2)16-11(13)8-12-18(14,15)17-10-6-4-3-5-7-10;2*1-2/h3-7,9H,8H2,1-2H3,(H2,12,14,15);2*1-2H3
InChIKeyXSCGUKBPLZFXSY-UHFFFAOYSA-N
MW333.37 g/mol
LogP3.76
Rot. Bonds6

About ethane;N-(2-oxo-2-propan-2-yloxyethyl)-phenoxyphosphonamidic acid

ethane;N-(2-oxo-2-propan-2-yloxyethyl)-phenoxyphosphonamidic acid (PubChem CID 162736895) has the molecular formula C15H28NO5P and a molecular weight of 333.37 g/mol. Its IUPAC name is ethane;N-(2-oxo-2-propan-2-yloxyethyl)-phenoxyphosphonamidic acid.

Molecular Properties

Compound Nameethane;N-(2-oxo-2-propan-2-yloxyethyl)-phenoxyphosphonamidic acid
PubChem CID162736895
Molecular FormulaC15H28NO5P
Molecular Weight333.37 g/mol
Exact Mass333.17
IUPAC Nameethane;N-(2-oxo-2-propan-2-yloxyethyl)-phenoxyphosphonamidic acid
SMILESCC.CC.CC(C)OC(=O)CNP(=O)(O)Oc1ccccc1
InChIInChI=1S/C11H16NO5P.2C2H6/c1-9(2)16-11(13)8-12-18(14,15)17-10-6-4-3-5-7-10;2*1-2/h3-7,9H,8H2,1-2H3,(H2,12,14,15);2*1-2H3
InChIKeyXSCGUKBPLZFXSY-UHFFFAOYSA-N
XLogP3.76
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethane;N-(2-oxo-2-propan-2-yloxyethyl)-phenoxyphosphonamidic acid 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-(2-oxo-2-propan-2-yloxyethyl)-phenoxyphosphonamidic acid
CID 147905510
ethane;propan-2-yl 2-[[methoxy(phenoxy)phosphoryl]amino]acetate
CID 162736864
propan-2-yl 2-[[2-methylsulfanylethyl(phenoxy)phosphoryl]amino]acetate
CID 123690303
N-(5-methoxy-2,5-dioxopentyl)-phenoxyphosphonamidic acid
CID 122698874
propan-2-yl 2-(dimethylphosphorylamino)acetate
CID 130330346
propan-2-yl 2-[[phenoxymethyl(propylsulfanyl)phosphoryl]amino]acetate
CID 123715988
propan-2-yl 2-[[chloro(phenylmethoxy)phosphoryl]amino]acetate
CID 145372538
methyl 3-bromo-4-[[(2-oxo-2-propan-2-yloxyethyl)amino]-phenoxyphosphoryl]oxybenzoate
CID 145200669
propan-2-yl (2S)-2-(diphenoxyphosphorylamino)propanoate
CID 90392548
N-[(2S)-1-ethoxy-1-oxopropan-2-yl]-phenoxyphosphonamidic acid
CID 141478072
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 2-phenoxyacetate
CID 11367560

Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-oxo-2-propan-2-yloxyethyl)-phenoxyphosphonamidic acid?
The IUPAC name of ethane;N-(2-oxo-2-propan-2-yloxyethyl)-phenoxyphosphonamidic acid (CID 162736895) is ethane;N-(2-oxo-2-propan-2-yloxyethyl)-phenoxyphosphonamidic acid.
What is the SMILES notation for ethane;N-(2-oxo-2-propan-2-yloxyethyl)-phenoxyphosphonamidic acid?
The canonical SMILES for ethane;N-(2-oxo-2-propan-2-yloxyethyl)-phenoxyphosphonamidic acid is CC.CC.CC(C)OC(=O)CNP(=O)(O)Oc1ccccc1.
What is the InChIKey of ethane;N-(2-oxo-2-propan-2-yloxyethyl)-phenoxyphosphonamidic acid?
The InChIKey is XSCGUKBPLZFXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16NO5P.2C2H6/c1-9(2)16-11(13)8-12-18(14,15)17-10-6-4-3-5-7-10;2*1-2/h3-7,9H,8H2,1-2H3,(H2,12,14,15);2*1-2H3.
What are the key properties of ethane;N-(2-oxo-2-propan-2-yloxyethyl)-phenoxyphosphonamidic acid?
ethane;N-(2-oxo-2-propan-2-yloxyethyl)-phenoxyphosphonamidic acid has a molecular weight of 333.37 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-oxo-2-propan-2-yloxyethyl)-phenoxyphosphonamidic acid is sourced from PubChem (CID 162736895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).