ethyl (2RS)-2-acetylamino-3-(3-cyanophenyl)propanoate

HCID 85797672
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Basic information

Standard SMILES
CCOC(=O)C(Cc1cccc(C#N)c1)NC(C)=O
InChIKey
QBWUCHFLLRXOFO-UHFFFAOYSA-N
Molecular formula
C14H16N2O3
Average molar mass
260.29 g/mol

Names & identifiers

Preferred name
ethyl (2RS)-2-acetylamino-3-(3-cyanophenyl)propanoate
IUPAC
ethyl 2-acetamido-3-(3-cyanophenyl)propanoate

Names & synonyms

SCHEMBL27484072QBWUCHFLLRXOFO-UHFFFAOYSA-NEthyl (2RS)-2-acetylamino-3-(3-cyanophenyl)-propanoateethyl (2RS)-2-acetylamino-3-(3-cyanophenyl)propanoate

Database identifiers

PubChem CID
85797672

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
79.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
19

Related reactions

6 records
New reaction record

Linked notes

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