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

HCID 46146

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Basic information

CAS: 63986-57-2
Standard SMILES: CCCCCCOc1ccc(NC(=O)OC(C)CN(CC)CC)c(C)c1
InChIKey: WZKHEEMESQKECF-UHFFFAOYSA-N
Molecular formula: C21H36N2O3
Average molar mass: 364.5 g/mol
Monoisotopic mass: 364.27259301

Names & identifiers

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

Names & synonyms

KL 383163986-57-21-((Diethylamino)methyl)ethyl 4-(hexyloxy)-2-methylcarbanilate4-(Hexyloxy)-2-methylcarbanilic acid 1-((diethylamino)methyl)ethyl esterCARBANILIC ACID, 4-(HEXYLOXY)-2-METHYL-, 1-((DIETHYLAMINO)METHYL)ETHYL ESTERRefChem:332966DTXSID209817061-(Diethylamino)propan-2-yl [4-(hexyloxy)-2-methylphenyl]carbamate

Database identifiers

CAS: 63986-57-2
PubChem CID: 46146
DTXSID: DTXSID20981706

Properties

Computed structural properties

XLogP: 5.4
Topological polar surface area: 50.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 13
Heavy atoms: 26
Formal charge: 0
Complexity: 374

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