2-Methyl-2-[3-(piperidin-4-ylcarbamoyl)-phenoxy]-propionic acid ethyl ester

HCID 68456399

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 916343-01-6
Standard SMILES: CCOC(=O)C(C)(C)Oc1cccc(C(=O)NC2CCNCC2)c1
InChIKey: JHDRKWKKQLOSTE-UHFFFAOYSA-N
Molecular formula: C18H26N2O4
Average molar mass: 334.4 g/mol
Monoisotopic mass: 334.18925731

Names & identifiers

Preferred name: 2-Methyl-2-[3-(piperidin-4-ylcarbamoyl)-phenoxy]-propionic acid ethyl ester
IUPAC: ethyl 2-methyl-2-[3-(piperidin-4-ylcarbamoyl)phenoxy]propanoate

Names & synonyms

SCHEMBL2956297JHDRKWKKQLOSTE-UHFFFAOYSA-NDTXSID201158482Ethyl 2-methyl-2-{3-[(piperidin-4-yl)carbamoyl]phenoxy}propanoateEthyl 2-methyl-2-[3-[(4-piperidinylamino)carbonyl]phenoxy]propanoate2-Methyl-2-[3-(piperidin-4-ylcarbamoyl)-phenoxy]-propionic acid ethyl ester916343-01-6

Database identifiers

CAS: 916343-01-6
PubChem CID: 68456399
DTXSID: DTXSID201158482

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 76.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 24
Formal charge: 0
Complexity: 433

Related reactions

8 records

New reaction record

HRID 169586As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 502386As productuspto-grants-2010_08

HRID 502387As reactantuspto-grants-2010_08

HRID 502388As reactantuspto-grants-2010_08

HRID 502389As reactantuspto-grants-2010_08

HRID 816677As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 951341As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 2135844As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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