Carbanilic acid, 4-(hexyloxy)-2-methyl-, 1-(piperidinomethyl)ethyl ester

HCID 46150

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Basic information

CAS: 63986-61-8
Standard SMILES: CCCCCCOc1ccc(NC(=O)OC(C)CN2CCCCC2)c(C)c1
InChIKey: OWXIJTPRDWLSET-UHFFFAOYSA-N
Molecular formula: C22H36N2O3
Average molar mass: 376.5 g/mol
Monoisotopic mass: 376.27259301

Names & identifiers

Preferred name: Carbanilic acid, 4-(hexyloxy)-2-methyl-, 1-(piperidinomethyl)ethyl ester
IUPAC: 1-piperidin-1-ylpropan-2-yl N-(4-hexoxy-2-methylphenyl)carbamate

Names & synonyms

KL 383363986-61-81-(Piperidinomethyl)ethyl 4-(hexyloxy)-2-methylcarbanilate4-(Hexyloxy)-2-methylcarbanilic acid 1-(piperidinomethyl)ethyl esterCARBANILIC ACID, 4-(HEXYLOXY)-2-METHYL-, 1-(PIPERIDINOMETHYL)ETHYL EStERRefChem:332967DTXSID109817101-(piperidin-1-yl)propan-2-yl [4-(hexyloxy)-2-methylphenyl]carbamate

Database identifiers

CAS: 63986-61-8
PubChem CID: 46150
DTXSID: DTXSID10981710

Properties

Computed structural properties

XLogP: 5.5
Topological polar surface area: 50.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 11
Heavy atoms: 27
Formal charge: 0
Complexity: 412

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