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

HCID 46136

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Basic information

CAS: 63986-43-6
Standard SMILES: CCCCCCOc1ccc(NC(=O)OCCN(CC)CC)c(C)c1
InChIKey: JIYIGOSXBYAFAP-UHFFFAOYSA-N
Molecular formula: C20H34N2O3
Average molar mass: 350.5 g/mol
Monoisotopic mass: 350.25694295

Names & identifiers

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

Names & synonyms

KL 381263986-43-6CARBANILIC ACID, 4-(HEXYLOXY)-2-METHYL-, 2-(DIETHYLAMINO)ETHYL ESTER2-(Diethylamino)ethyl 4-(hexyloxy)-2-methylcarbanilate4-(Hexyloxy)-2-methylcarbanilic acid 2-(diethylamino)ethyl esterDTXSID30213909RefChem:332968DTXCID101364002-(Diethylamino)ethyl [4-(hexyloxy)-2-methylphenyl]carbamate

Database identifiers

CAS: 63986-43-6
PubChem CID: 46136
DTXSID: DTXSID30213909

Properties

Computed structural properties

XLogP: 4.9
Topological polar surface area: 50.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 13
Heavy atoms: 25
Formal charge: 0
Complexity: 348

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