methyl 3-[p-(epsilon-N-acetylaminocaproyl)phenyl]-propionate

HCID 13050879
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Basic information

Standard SMILES
COC(=O)CCc1ccc(C(=O)CCCCCNC(C)=O)cc1
InChIKey
ZXQSLBQTFXGQMJ-UHFFFAOYSA-N
Molecular formula
C18H25NO4
Average molar mass
319.4 g/mol

Names & identifiers

Preferred name
methyl 3-[p-(epsilon-N-acetylaminocaproyl)phenyl]-propionate
IUPAC
methyl 3-[4-(6-acetamidohexanoyl)phenyl]propanoate

Names & synonyms

SCHEMBL11133895ZXQSLBQTFXGQMJ-UHFFFAOYSA-Nmethyl 3-[p-(epsilon-N-acetylaminocaproyl)phenyl]-propionate

Database identifiers

PubChem CID
13050879

Properties

Computed structural properties

XLogP
2
Topological polar surface area
72.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
11
Heavy atoms
23

Related reactions

1 records
New reaction record

Compound notes

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