Carbanilic acid, 4-(hexyloxy)-2-methyl-, 2-piperidinoethyl ester

HCID 46140

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Basic information

CAS: 63986-47-0
Standard SMILES: CCCCCCOc1ccc(NC(=O)OCCN2CCCCC2)c(C)c1
InChIKey: GKNHXRUADCYXJS-UHFFFAOYSA-N
Molecular formula: C21H34N2O3
Average molar mass: 362.5 g/mol
Monoisotopic mass: 362.25694295

Names & identifiers

Preferred name: Carbanilic acid, 4-(hexyloxy)-2-methyl-, 2-piperidinoethyl ester
IUPAC: 2-piperidin-1-ylethyl N-(4-hexoxy-2-methylphenyl)carbamate

Names & synonyms

KL 381363986-47-0CARBANILIC ACID, 4-(HEXYLOXY)-2-METHYL-, 2-PIPERIDINOETHYL ESTER2-Piperidinoethyl 4-(hexyloxy)-2-methylcarbanilate4-(Hexyloxy)-2-methylcarbanilic acid 2-piperidinoethyl esterDTXSID20213913RefChem:332970DTXCID501364042-(Piperidin-1-yl)ethyl [4-(hexyloxy)-2-methylphenyl]carbamate

Database identifiers

CAS: 63986-47-0
PubChem CID: 46140
DTXSID: DTXSID20213913

Properties

Computed structural properties

XLogP: 5.1
Topological polar surface area: 50.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 11
Heavy atoms: 26
Formal charge: 0
Complexity: 385

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