Carbamic acid, (3-(3-hydroxy-3-((1-methylethyl)amino)-2-hydroxypropoxy)phenyl)-, ethyl ester

HCID 54977

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Basic information

CAS: 102416-97-7
Standard SMILES: CCOC(=O)Nc1cccc(OCC(O)CNC(C)(C)C)c1
InChIKey: NYTHHFQMBUDRGV-UHFFFAOYSA-N
Molecular formula: C16H26N2O4
Average molar mass: 310.39 g/mol
Monoisotopic mass: 310.18925731

Names & identifiers

Preferred name: Carbamic acid, (3-(3-hydroxy-3-((1-methylethyl)amino)-2-hydroxypropoxy)phenyl)-, ethyl ester
IUPAC: ethyl N-[3-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]carbamate

Names & synonyms

102416-97-7Carbamic acid, (3-(3-hydroxy-3-((1-methylethyl)amino)-2-hydroxypropoxy)phenyl)-, ethyl esterDTXSID00907489Ethyl hydrogen {3-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl}carbonimidate

Database identifiers

CAS: 102416-97-7
PubChem CID: 54977
DTXSID: DTXSID00907489
Nikkaji: J455.137K

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 79.8 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 9
Heavy atoms: 22
Formal charge: 0
Complexity: 331

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