N-Ethoxycarbonyl-2-[2-benzyloxy-4-(1,1-dimethylheptyl)phenyl]-4-piperidinone

HCID 13519476
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Basic information

Standard SMILES
CCCCCCC(C)(C)c1ccc(C2CC(=O)CCN2C(=O)OCC)c(OCc2ccccc2)c1
InChIKey
BJEHBLWVVSRLQX-UHFFFAOYSA-N
Molecular formula
C30H41NO4
Average molar mass
479.6 g/mol
Monoisotopic mass
479.30355879

Names & identifiers

Preferred name
N-Ethoxycarbonyl-2-[2-benzyloxy-4-(1,1-dimethylheptyl)phenyl]-4-piperidinone
IUPAC
ethyl 2-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]-4-oxopiperidine-1-carboxylate

Names & synonyms

SCHEMBL10648387BJEHBLWVVSRLQX-UHFFFAOYSA-NN-Ethoxycarbonyl-2-[2-benzyloxy-4-(1,1-dimethylheptyl)phenyl]-4-piperidinone

Database identifiers

PubChem CID
13519476

Properties

Computed structural properties

XLogP
7.3
Topological polar surface area
55.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
12
Heavy atoms
35

Related reactions

6 records
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Compound notes

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