3-(3,3-Dimethylheptadecanoyloxy)-4-(2-chloro-3-methoxy-4-methylbenzoyloxy)phenyl isopropylaminomethyl ketone

HCID 20535461

Basic information

Standard SMILES
CCCCCCCCCCCCCCC(C)(C)CC(=O)Oc1cc(C(=O)CNC(C)C)ccc1OC(=O)c1ccc(C)c(OC)c1Cl
InChIKey
FZNBANWRHZASDO-UHFFFAOYSA-N
Molecular formula
C39H58ClNO6
Average molar mass
672.3 g/mol
Monoisotopic mass
671.3952663

Names & identifiers

Preferred name
3-(3,3-Dimethylheptadecanoyloxy)-4-(2-chloro-3-methoxy-4-methylbenzoyloxy)phenyl isopropylaminomethyl ketone
IUPAC
[2-(3,3-dimethylheptadecanoyloxy)-4-[2-(propan-2-ylamino)acetyl]phenyl] 2-chloro-3-methoxy-4-methylbenzoate

Names & synonyms

SCHEMBL11282372FZNBANWRHZASDO-UHFFFAOYSA-N3-(3,3-dimethylheptadecanoyloxy)-4-(2-chloro-3-methoxy-4-methylbenzoyloxy)phenyl isopropylaminomethyl ketone

Database identifiers

PubChem CID
20535461

Properties

Computed structural properties

XLogP
12.8
Topological polar surface area
90.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
25
Heavy atoms
47

Related reactions

3 records

Compound notes

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