Methyl-2-(4-isopropylanilino)acetate

HCID 22669181

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COC(=O)CNc1ccc(C(C)C)cc1
InChIKey: LFMIEUGUWYAPNT-UHFFFAOYSA-N
Molecular formula: C12H17NO2
Average molar mass: 207.27 g/mol

Names & identifiers

Preferred name: Methyl-2-(4-isopropylanilino)acetate
IUPAC: methyl 2-(4-propan-2-ylanilino)acetate

Names & synonyms

SCHEMBL133676LFMIEUGUWYAPNT-UHFFFAOYSA-Nmethyl-2-(4-isopropylanilino)acetateAKOS000254630

Database identifiers

PubChem CID: 22669181

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 38.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 15
Formal charge: 0
Complexity: 196

Related reactions

8 records

New reaction record

HRID 600919As productuspto-grants-2011_03

HRID 600920As reactantuspto-grants-2011_03

HRID 668791As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 751004As productuspto-grants-2008_07

HRID 751005As reactantuspto-grants-2008_07

HRID 1211125As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 2194817As productuspto-grants-2012_12

HRID 2194818As reactantuspto-grants-2012_12

Compound notes

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