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

HCID 46149

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Basic information

CAS: 63986-60-7
Standard SMILES: CCCCCOc1ccc(NC(=O)OC(C)CN2CCCCC2)c(C)c1
InChIKey: HSKWELWZXVVUTE-UHFFFAOYSA-N
Molecular formula: C21H34N2O3
Average molar mass: 362.5 g/mol
Monoisotopic mass: 362.25694295

Names & identifiers

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

Names & synonyms

KL 373363986-60-72-Methyl-4-(pentyloxy)carbanilic acid 1-(piperidinomethyl)ethyl esterCARBANILIC ACID, 2-METHYL-4-(PENTYLOXY)-, 1-(PIPERIDINOMETHYL)ETHYL ESTERRefChem:332944DTXSID009817091-(piperidin-1-yl)propan-2-yl [2-methyl-4-(pentyloxy)phenyl]carbamate

Database identifiers

CAS: 63986-60-7
PubChem CID: 46149
DTXSID: DTXSID00981709

Properties

Computed structural properties

XLogP: 4.9
Topological polar surface area: 50.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 10
Heavy atoms: 26
Formal charge: 0
Complexity: 399

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