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

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Basic information

CAS: 63986-40-3
Standard SMILES: CCCOc1ccc(NC(=O)OCCN(CC)CC)c(C)c1
InChIKey: ZLTIWADRYUDWKZ-UHFFFAOYSA-N
Molecular formula: C17H28N2O3
Average molar mass: 308.4 g/mol
Monoisotopic mass: 308.20999276

Names & identifiers

Preferred name: Carbanilic acid, 2-methyl-4-propoxy-, 2-(diethylamino)ethyl ester
IUPAC: 2-(diethylamino)ethyl N-(2-methyl-4-propoxyphenyl)carbamate

Names & synonyms

KL 351263986-40-3CARBANILIC ACID, 2-METHYL-4-PROPOXY-, 2-(DIETHYLAMINO)ETHYL ESTER2-Methyl-4-propoxycarbanilic acid 2-(diethylamino)ethyl esterDTXSID50213906RefChem:332950DTXCID401363972-(diethylamino)ethyl (2-methyl-4-propoxyphenyl)carbamate

Database identifiers

CAS: 63986-40-3
PubChem CID: 46132
DTXSID: DTXSID50213906

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 50.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 10
Heavy atoms: 22
Formal charge: 0
Complexity: 308

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Compound notes

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