ethyl 2-[[(2,6-dimethylphenoxy)-ethylphosphoryl]amino]propanoate

C15H24NO4P — CID 143041195

IUPACethyl 2-[[(2,6-dimethylphenoxy)-ethylphosphoryl]amino]propanoate
SMILESCCOC(=O)C(C)NP(=O)(CC)Oc1c(C)cccc1C
InChIInChI=1S/C15H24NO4P/c1-6-19-15(17)13(5)16-21(18,7-2)20-14-11(3)9-8-10-12(14)4/h8-10,13H,6-7H2,1-5H3,(H,16,18)
InChIKeyIQQVPLNXJIRHGF-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.44
Rot. Bonds7

About ethyl 2-[[(2,6-dimethylphenoxy)-ethylphosphoryl]amino]propanoate

ethyl 2-[[(2,6-dimethylphenoxy)-ethylphosphoryl]amino]propanoate (PubChem CID 143041195) has the molecular formula C15H24NO4P and a molecular weight of 313.33 g/mol. Its IUPAC name is ethyl 2-[[(2,6-dimethylphenoxy)-ethylphosphoryl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[[(2,6-dimethylphenoxy)-ethylphosphoryl]amino]propanoate
PubChem CID143041195
Molecular FormulaC15H24NO4P
Molecular Weight313.33 g/mol
Exact Mass313.14
IUPAC Nameethyl 2-[[(2,6-dimethylphenoxy)-ethylphosphoryl]amino]propanoate
SMILESCCOC(=O)C(C)NP(=O)(CC)Oc1c(C)cccc1C
InChIInChI=1S/C15H24NO4P/c1-6-19-15(17)13(5)16-21(18,7-2)20-14-11(3)9-8-10-12(14)4/h8-10,13H,6-7H2,1-5H3,(H,16,18)
InChIKeyIQQVPLNXJIRHGF-UHFFFAOYSA-N
XLogP3.44
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[[2-methylpropyl(phenoxy)phosphoryl]amino]propanoate
CID 134359855
2-ethylbutyl (2S)-2-[[(2,6-dimethylphenoxy)-(2,3,4,5,6-pentafluorophenoxy)phosphoryl]amino]propanoate
CID 167342678
propan-2-yl 2-[[ethyl(phenoxy)phosphoryl]amino]propanoate
CID 123570379
N-[(2S)-1-ethoxy-1-oxopropan-2-yl]-phenoxyphosphonamidic acid
CID 141478072
ethyl (2S)-2-[[phenoxy(phenylmethoxymethyl)phosphoryl]amino]propanoate
CID 131990521
(3-chlorophenoxy)-N-(1-ethoxy-1-oxopropan-2-yl)phosphonamidic acid
CID 69006691
ethyl 2-[(2-fluoro-3-methylbenzoyl)amino]propanoate
CID 80717900
ethyl (2R)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate
CID 122527443
ethyl (2S)-2-[[[(2R)-1-(methylamino)propan-2-yl]oxymethyl-phenoxyphosphoryl]amino]propanoate
CID 71120514
(2-chlorophenoxy)-N-(1-ethoxy-1-oxopropan-2-yl)phosphonamidic acid
CID 69010591
ethyl (2S)-2-[[[4-(4-hydroxy-3,5-dipropylphenyl)-2,6-dipropylphenoxy]-(methoxymethyl)phosphoryl]amino]propanoate
CID 130324415
ethyl (2S)-2-[[(4-chlorophenoxy)-methylphosphoryl]amino]propanoate
CID 59483411

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(2,6-dimethylphenoxy)-ethylphosphoryl]amino]propanoate?
The IUPAC name of ethyl 2-[[(2,6-dimethylphenoxy)-ethylphosphoryl]amino]propanoate (CID 143041195) is ethyl 2-[[(2,6-dimethylphenoxy)-ethylphosphoryl]amino]propanoate.
What is the SMILES notation for ethyl 2-[[(2,6-dimethylphenoxy)-ethylphosphoryl]amino]propanoate?
The canonical SMILES for ethyl 2-[[(2,6-dimethylphenoxy)-ethylphosphoryl]amino]propanoate is CCOC(=O)C(C)NP(=O)(CC)Oc1c(C)cccc1C.
What is the InChIKey of ethyl 2-[[(2,6-dimethylphenoxy)-ethylphosphoryl]amino]propanoate?
The InChIKey is IQQVPLNXJIRHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24NO4P/c1-6-19-15(17)13(5)16-21(18,7-2)20-14-11(3)9-8-10-12(14)4/h8-10,13H,6-7H2,1-5H3,(H,16,18).
What are the key properties of ethyl 2-[[(2,6-dimethylphenoxy)-ethylphosphoryl]amino]propanoate?
ethyl 2-[[(2,6-dimethylphenoxy)-ethylphosphoryl]amino]propanoate has a molecular weight of 313.33 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(2,6-dimethylphenoxy)-ethylphosphoryl]amino]propanoate is sourced from PubChem (CID 143041195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).