2-[N-(naphth-2-yl)amino]butanoic Acid Ethyl Ester

HCID 10131322

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCOC(=O)C(CC)Nc1ccc2ccccc2c1
InChIKey: RSDJPEANIYSEOX-UHFFFAOYSA-N
Molecular formula: C16H19NO2
Average molar mass: 257.33 g/mol

Names & identifiers

Preferred name: 2-[N-(naphth-2-yl)amino]butanoic Acid Ethyl Ester
IUPAC: ethyl 2-(naphthalen-2-ylamino)butanoate

Names & synonyms

SCHEMBL4424175RSDJPEANIYSEOX-UHFFFAOYSA-NAKOS0139941522-[N-(naphth-2-yl)amino]butanoic Acid Ethyl Ester

Database identifiers

PubChem CID: 10131322

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 38.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 19
Formal charge: 0
Complexity: 292

Related reactions

15 records

New reaction record

HRID 23050 reaction equation

HRID 23050As productuspto-grants-2005_02

HRID 133338 reaction equation

HRID 133338As productuspto-grants-2008_06

HRID 411443 reaction equation

HRID 411443As productuspto-grants-2003_05

HRID 433487 reaction equation

HRID 433487As productuspto-grants-2003_12

HRID 480861 reaction equation

HRID 480861As productuspto-grants-2003_11

HRID 665751 reaction equation

HRID 665751As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 860326 reaction equation

HRID 860326As productuspto-grants-2006_12

HRID 987764 reaction equation

HRID 987764As productuspto-grants-2003_10

Compound notes

Loading…