Ethyl 4-{[3-(2-methoxyphenyl)propyl]amino}benzoate

HCID 13079682

Notes Reactions

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Basic information

CAS: 61440-43-5
Standard SMILES: CCOC(=O)c1ccc(NCCCc2ccccc2OC)cc1
InChIKey: RULCHCRTVBOSDR-UHFFFAOYSA-N
Molecular formula: C19H23NO3
Average molar mass: 313.4 g/mol
Monoisotopic mass: 313.1677936

Names & identifiers

Preferred name: Ethyl 4-{[3-(2-methoxyphenyl)propyl]amino}benzoate
IUPAC: ethyl 4-[3-(2-methoxyphenyl)propylamino]benzoate

Names & synonyms

61440-43-5CHEMBL31866Ethyl 4-{[3-(2-methoxyphenyl)propyl]amino}benzoateSCHEMBL11251944DTXSID00517542RULCHCRTVBOSDR-UHFFFAOYSA-NEthyl p-[3-(o-methoxyphenyl)propyl]aminobenzoate

Database identifiers

CAS: 61440-43-5
PubChem CID: 13079682
DTXSID: DTXSID00517542
ChEMBL: CHEMBL31866

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 47.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 9
Heavy atoms: 23
Formal charge: 0
Complexity: 340

Related reactions

6 records

New reaction record

HRID 98135As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 1134794As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1703099As productuspto-grants-1982_09

HRID 1703100As reactantuspto-grants-1982_09

HRID 2052504As productuspto-grants-1980_01

HRID 2052505As reactantuspto-grants-1980_01

Compound notes

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