Propan-2-yl 2-({[(2,2-dimethylpropyl)amino](ethoxy)phosphoryl}oxy)benzoate

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Basic information

CAS: 103982-01-0
Standard SMILES: CCOP(=O)(NCC(C)(C)C)Oc1ccccc1C(=O)OC(C)C
InChIKey: FAJOOKVYVIAASF-UHFFFAOYSA-N
Molecular formula: C17H28NO5P
Average molar mass: 357.4 g/mol
Monoisotopic mass: 357.17050999

Names & identifiers

Preferred name: Propan-2-yl 2-({[(2,2-dimethylpropyl)amino](ethoxy)phosphoryl}oxy)benzoate
IUPAC: propan-2-yl 2-[(2,2-dimethylpropylamino)-ethoxyphosphoryl]oxybenzoate

Names & synonyms

103982-01-0propan-2-yl 2-({[(2,2-dimethylpropyl)amino](ethoxy)phosphoryl}oxy)benzoateDTXSID90908703Benzoic acid, 2-((((2,2-dimethylpropyl)amino)ethoxyphosphinyl)oxy)-, 1-methylethyl ester

Database identifiers

CAS: 103982-01-0
PubChem CID: 190640
DTXSID: DTXSID90908703

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 73.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 10
Heavy atoms: 24
Formal charge: 0
Complexity: 447

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