(2-ethoxycarbonylphenoxy)-N-(1-ethoxy-2-methyl-1-oxopropan-2-yl)phosphonamidic acid

C15H22NO7P — CID 69000483

IUPAC(2-ethoxycarbonylphenoxy)-N-(1-ethoxy-2-methyl-1-oxopropan-2-yl)phosphonamidic acid
SMILESCCOC(=O)c1ccccc1OP(=O)(O)NC(C)(C)C(=O)OCC
InChIInChI=1S/C15H22NO7P/c1-5-21-13(17)11-9-7-8-10-12(11)23-24(19,20)16-15(3,4)14(18)22-6-2/h7-10H,5-6H2,1-4H3,(H2,16,19,20)
InChIKeyDITZDPNFSNVVNH-UHFFFAOYSA-N
MW359.32 g/mol
LogP2.27
Rot. Bonds8

About (2-ethoxycarbonylphenoxy)-N-(1-ethoxy-2-methyl-1-oxopropan-2-yl)phosphonamidic acid

(2-ethoxycarbonylphenoxy)-N-(1-ethoxy-2-methyl-1-oxopropan-2-yl)phosphonamidic acid (PubChem CID 69000483) has the molecular formula C15H22NO7P and a molecular weight of 359.32 g/mol. Its IUPAC name is (2-ethoxycarbonylphenoxy)-N-(1-ethoxy-2-methyl-1-oxopropan-2-yl)phosphonamidic acid.

Molecular Properties

Compound Name(2-ethoxycarbonylphenoxy)-N-(1-ethoxy-2-methyl-1-oxopropan-2-yl)phosphonamidic acid
PubChem CID69000483
Molecular FormulaC15H22NO7P
Molecular Weight359.32 g/mol
Exact Mass359.11
IUPAC Name(2-ethoxycarbonylphenoxy)-N-(1-ethoxy-2-methyl-1-oxopropan-2-yl)phosphonamidic acid
SMILESCCOC(=O)c1ccccc1OP(=O)(O)NC(C)(C)C(=O)OCC
InChIInChI=1S/C15H22NO7P/c1-5-21-13(17)11-9-7-8-10-12(11)23-24(19,20)16-15(3,4)14(18)22-6-2/h7-10H,5-6H2,1-4H3,(H2,16,19,20)
InChIKeyDITZDPNFSNVVNH-UHFFFAOYSA-N
XLogP2.27
TPSA111.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.32
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(2,2-dimethylpropanoyloxy)benzoate
CID 71314327
ethyl 2-(2-ethoxycarbonylphenoxy)benzoate
CID 142800670
ethyl 2-methyl-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate
CID 121310000
methyl 2-[tert-butyl(ethoxy)phosphoryl]oxybenzoate
CID 171426087
ethyl 2-acetyloxybenzoate;hydrochloride
CID 168984732
ethyl 2-(3-methoxypropoxy)benzoate
CID 54075069
methyl 2-[3-[(1-ethoxy-2-methyl-1-oxopropan-2-yl)amino]-2-hydroxypropoxy]benzoate
CID 13040919
2-O-(2,2-dimethylpropanoyloxymethyl) 1-O-ethyl benzene-1,2-dicarboxylate
CID 174963814
ethyl 2-(propylamino)benzoate
CID 15662762
2-acetyloxyethyl 2-phosphonooxybenzoate
CID 58511809
ethyl 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 10448213
ethyl 2-prop-1-enoxybenzoate
CID 57040504

Frequently Asked Questions

What is the IUPAC name of (2-ethoxycarbonylphenoxy)-N-(1-ethoxy-2-methyl-1-oxopropan-2-yl)phosphonamidic acid?
The IUPAC name of (2-ethoxycarbonylphenoxy)-N-(1-ethoxy-2-methyl-1-oxopropan-2-yl)phosphonamidic acid (CID 69000483) is (2-ethoxycarbonylphenoxy)-N-(1-ethoxy-2-methyl-1-oxopropan-2-yl)phosphonamidic acid.
What is the SMILES notation for (2-ethoxycarbonylphenoxy)-N-(1-ethoxy-2-methyl-1-oxopropan-2-yl)phosphonamidic acid?
The canonical SMILES for (2-ethoxycarbonylphenoxy)-N-(1-ethoxy-2-methyl-1-oxopropan-2-yl)phosphonamidic acid is CCOC(=O)c1ccccc1OP(=O)(O)NC(C)(C)C(=O)OCC.
What is the InChIKey of (2-ethoxycarbonylphenoxy)-N-(1-ethoxy-2-methyl-1-oxopropan-2-yl)phosphonamidic acid?
The InChIKey is DITZDPNFSNVVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22NO7P/c1-5-21-13(17)11-9-7-8-10-12(11)23-24(19,20)16-15(3,4)14(18)22-6-2/h7-10H,5-6H2,1-4H3,(H2,16,19,20).
What are the key properties of (2-ethoxycarbonylphenoxy)-N-(1-ethoxy-2-methyl-1-oxopropan-2-yl)phosphonamidic acid?
(2-ethoxycarbonylphenoxy)-N-(1-ethoxy-2-methyl-1-oxopropan-2-yl)phosphonamidic acid has a molecular weight of 359.32 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxycarbonylphenoxy)-N-(1-ethoxy-2-methyl-1-oxopropan-2-yl)phosphonamidic acid is sourced from PubChem (CID 69000483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).