tert-Butyl 3-[3-(3-ethoxypropionylamino)benzyloxy]-4-{4-[3-(2-methoxybenzyloxy)propoxy]phenyl}piperidine-1-carboxylate

HCID 68503565

Basic information

Standard SMILES
CCOCCC(=O)Nc1cccc(COC2CN(C(=O)OC(C)(C)C)CCC2c2ccc(OCCCOCc3ccccc3OC)cc2)c1
InChIKey
RCRWQAIDGTUCSD-UHFFFAOYSA-N
Molecular formula
C39H52N2O8
Average molar mass
676.8 g/mol
Monoisotopic mass
676.37236662

Names & identifiers

Preferred name
tert-Butyl 3-[3-(3-ethoxypropionylamino)benzyloxy]-4-{4-[3-(2-methoxybenzyloxy)propoxy]phenyl}piperidine-1-carboxylate
IUPAC
tert-butyl 3-[[3-(3-ethoxypropanoylamino)phenyl]methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine-1-carboxylate

Names & synonyms

SCHEMBL3078625RCRWQAIDGTUCSD-UHFFFAOYSA-Ntert-Butyl 3-[3-(3-ethoxypropionylamino)benzyloxy]-4-{4-[3-(2-methoxybenzyloxy)propoxy]phenyl}piperidine-1-carboxylate

Database identifiers

PubChem CID
68503565

Properties

Computed structural properties

XLogP
5.4
Topological polar surface area
105 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
19
Heavy atoms
49

Related reactions

3 records

Compound notes

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