ethane;phenol;propan-2-yl 2-(methylphosphanylamino)acetate

C14H26NO3P — CID 145444503

IUPACethane;phenol;propan-2-yl 2-(methylphosphanylamino)acetate
SMILESCC.CPNCC(=O)OC(C)C.Oc1ccccc1
InChIInChI=1S/C6H14NO2P.C6H6O.C2H6/c1-5(2)9-6(8)4-7-10-3;7-6-4-2-1-3-5-6;1-2/h5,7,10H,4H2,1-3H3;1-5,7H;1-2H3
InChIKeyHJUNOQJAYXERND-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.17
Rot. Bonds4

About ethane;phenol;propan-2-yl 2-(methylphosphanylamino)acetate

ethane;phenol;propan-2-yl 2-(methylphosphanylamino)acetate (PubChem CID 145444503) has the molecular formula C14H26NO3P and a molecular weight of 287.34 g/mol. Its IUPAC name is ethane;phenol;propan-2-yl 2-(methylphosphanylamino)acetate.

Molecular Properties

Compound Nameethane;phenol;propan-2-yl 2-(methylphosphanylamino)acetate
PubChem CID145444503
Molecular FormulaC14H26NO3P
Molecular Weight287.34 g/mol
Exact Mass287.17
IUPAC Nameethane;phenol;propan-2-yl 2-(methylphosphanylamino)acetate
SMILESCC.CPNCC(=O)OC(C)C.Oc1ccccc1
InChIInChI=1S/C6H14NO2P.C6H6O.C2H6/c1-5(2)9-6(8)4-7-10-3;7-6-4-2-1-3-5-6;1-2/h5,7,10H,4H2,1-3H3;1-5,7H;1-2H3
InChIKeyHJUNOQJAYXERND-UHFFFAOYSA-N
XLogP3.17
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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ethane;propan-2-yl 2-[[methoxy(phenoxy)phosphoryl]amino]acetate
CID 162736864
N-(2-oxo-2-propan-2-yloxyethyl)-phenoxyphosphonamidic acid
CID 147905510
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CID 10644910
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methyl hydrogen carbonate;phenol
CID 126664263
propan-2-yl 2-phenoxyacetate
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Frequently Asked Questions

What is the IUPAC name of ethane;phenol;propan-2-yl 2-(methylphosphanylamino)acetate?
The IUPAC name of ethane;phenol;propan-2-yl 2-(methylphosphanylamino)acetate (CID 145444503) is ethane;phenol;propan-2-yl 2-(methylphosphanylamino)acetate.
What is the SMILES notation for ethane;phenol;propan-2-yl 2-(methylphosphanylamino)acetate?
The canonical SMILES for ethane;phenol;propan-2-yl 2-(methylphosphanylamino)acetate is CC.CPNCC(=O)OC(C)C.Oc1ccccc1.
What is the InChIKey of ethane;phenol;propan-2-yl 2-(methylphosphanylamino)acetate?
The InChIKey is HJUNOQJAYXERND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO2P.C6H6O.C2H6/c1-5(2)9-6(8)4-7-10-3;7-6-4-2-1-3-5-6;1-2/h5,7,10H,4H2,1-3H3;1-5,7H;1-2H3.
What are the key properties of ethane;phenol;propan-2-yl 2-(methylphosphanylamino)acetate?
ethane;phenol;propan-2-yl 2-(methylphosphanylamino)acetate has a molecular weight of 287.34 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;phenol;propan-2-yl 2-(methylphosphanylamino)acetate is sourced from PubChem (CID 145444503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).