N-acetonyl-8-benzyl-3-(4-isopropoxy-3-methyl-benzoyl)-11-oxa-3,8-diazaspiro[5.5]undecane-10-carboxamide

HCID 70872809
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Basic information

Standard SMILES
CC(=O)CNC(=O)C1CN(Cc2ccccc2)CC2(CCN(C(=O)c3ccc(OC(C)C)c(C)c3)CC2)O1
InChIKey
NSQLOKIFNXXCRF-UHFFFAOYSA-N
Molecular formula
C30H39N3O5
Average molar mass
521.6 g/mol

Names & identifiers

Preferred name
N-acetonyl-8-benzyl-3-(4-isopropoxy-3-methyl-benzoyl)-11-oxa-3,8-diazaspiro[5.5]undecane-10-carboxamide
IUPAC
4-benzyl-9-(3-methyl-4-propan-2-yloxybenzoyl)-N-(2-oxopropyl)-1-oxa-4,9-diazaspiro[5.5]undecane-2-carboxamide

Names & synonyms

SCHEMBL13277634NSQLOKIFNXXCRF-UHFFFAOYSA-NN-acetonyl-8-benzyl-3-(4-isopropoxy-3-methyl-benzoyl)-11-oxa-3,8-diazaspiro[5.5]undecane-10-carboxamide

Database identifiers

PubChem CID
70872809

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
88.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
38

Related reactions

4 records
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Compound notes

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