Carbanilic acid, 2-(N-methyl-N-phenethylamino)ethyl ester

HCID 53841

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Basic information

CAS: 77944-93-5
Standard SMILES: CN(CCOC(=O)Nc1ccccc1)CCc1ccccc1
InChIKey: YFJMJSOJMZDCLC-UHFFFAOYSA-N
Molecular formula: C18H22N2O2
Average molar mass: 298.4 g/mol
Monoisotopic mass: 298.16812795

Names & identifiers

Preferred name: Carbanilic acid, 2-(N-methyl-N-phenethylamino)ethyl ester
IUPAC: 2-[methyl(2-phenylethyl)amino]ethyl N-phenylcarbamate

Names & synonyms

BRN 2749869CARBANILIC ACID, 2-(N-METHYL-N-PHENETHYLAMINO)ETHYL ESTER2-(N-Methyl-N-phenethylamino)ethyl carbanilate77944-93-5beta-(N-Methyl-N-phenethylamino)ethyl carbanilateDTXSID402286053-12-00-02417 (Beilstein Handbook Reference)RefChem:332937DTXCID501510962-[methyl(2-phenylethyl)amino]ethyl phenylcarbamate

Database identifiers

CAS: 77944-93-5
PubChem CID: 53841
DTXSID: DTXSID40228605
Nikkaji: J69.457F

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 41.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 8
Heavy atoms: 22
Formal charge: 0
Complexity: 310

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