(1-(2-(Tert-butoxycarbonylamino)acetyl)-4-(3-fluoro-2-methylbenzylcarbamoyl)piperidin-4-yl)methyl 4-ethylphenylcarbamate

HCID 59778453

Basic information

Standard SMILES
CCc1ccc(NC(=O)OCC2(C(=O)NCc3cccc(F)c3C)CCN(C(=O)CNC(=O)OC(C)(C)C)CC2)cc1
InChIKey
MMAOWJSPLJNDML-UHFFFAOYSA-N
Molecular formula
C31H41FN4O6
Average molar mass
584.7 g/mol

Names & identifiers

Preferred name
(1-(2-(Tert-butoxycarbonylamino)acetyl)-4-(3-fluoro-2-methylbenzylcarbamoyl)piperidin-4-yl)methyl 4-ethylphenylcarbamate
IUPAC
[4-[(3-fluoro-2-methylphenyl)methylcarbamoyl]-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperidin-4-yl]methyl N-(4-ethylphenyl)carbamate

Names & synonyms

SCHEMBL4796614MMAOWJSPLJNDML-UHFFFAOYSA-N(1-(2-(tert-butoxycarbonylamino)acetyl)-4-(3-fluoro-2-methylbenzylcarbamoyl)piperidin-4-yl)methyl 4-ethylphenylcarbamate

Database identifiers

PubChem CID
59778453

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
126 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
7
Rotatable bonds
12
Heavy atoms
42

Related reactions

4 records

Compound notes

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