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

HCID 46131

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Basic information

CAS: 63986-39-0
Standard SMILES: CCCCCCOc1ccc(NC(=O)OCCN(C)C)c(C)c1
InChIKey: STOXICLIVXPABV-UHFFFAOYSA-N
Molecular formula: C18H30N2O3
Average molar mass: 322.4 g/mol
Monoisotopic mass: 322.22564282

Names & identifiers

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

Names & synonyms

KL 381163986-39-0CARBANILIC ACID, 4-(HEXYLOXY)-2-METHYL-, 2-(DIMETHYLAMINO)ETHYL ESTER2-(Dimethylamino)ethyl 4-(hexyloxy)-2-methylcarbanilateDTXSID902139054-(Hexyloxy)-2-methylcarbanilic acid 2-(dimethylamino)ethyl esterRefChem:332969DTXCID801363962-(dimethylamino)ethyl [4-(hexyloxy)-2-methylphenyl]carbamate

Database identifiers

CAS: 63986-39-0
PubChem CID: 46131
DTXSID: DTXSID90213905

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 50.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 11
Heavy atoms: 23
Formal charge: 0
Complexity: 323

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