2-(Dimethylamino)-3-hydroxy-3-phenylpropyl hydrogen phenylcarbonimidate

HCID 53840

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Basic information

CAS: 77944-91-3
Standard SMILES: CN(C)C(COC(=O)Nc1ccccc1)C(O)c1ccccc1
InChIKey: PIBDNVHDXOALIE-UHFFFAOYSA-N
Molecular formula: C18H22N2O3
Average molar mass: 314.4 g/mol
Monoisotopic mass: 314.16304257

Names & identifiers

Preferred name: 2-(Dimethylamino)-3-hydroxy-3-phenylpropyl hydrogen phenylcarbonimidate
IUPAC: [2-(dimethylamino)-3-hydroxy-3-phenylpropyl] N-phenylcarbamate

Names & synonyms

77944-91-3DTXSID509991372-(Dimethylamino)-3-hydroxy-3-phenylpropyl hydrogen phenylcarbonimidateRefChem:1061752DTXCID4014261122-(Dimethylamino)-3-hydroxy-3-phenylpropyl carbanilategamma-Phenyl-gamma-hydroxy-beta-(diethylamino)propyl carbanilateCARBANILIC ACID, 2-(DIMETHYLAMINO)-3-HYDROXY-3-PHENYLPROPYL ESTER

Database identifiers

CAS: 77944-91-3
PubChem CID: 53840
DTXSID: DTXSID50999137

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 61.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 23
Formal charge: 0
Complexity: 350

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