Carbanilic acid, 1-(dimethylaminomethyl)-1-methyl-3-phenylpropyl ester

HCID 49522

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Basic information

CAS: 77944-92-4
Standard SMILES: CN(C)CC(C)(CCc1ccccc1)OC(=O)Nc1ccccc1
InChIKey: JHGJKUINNINEFK-UHFFFAOYSA-N
Molecular formula: C20H26N2O2
Average molar mass: 326.4 g/mol
Monoisotopic mass: 326.19942808

Names & identifiers

Preferred name: Carbanilic acid, 1-(dimethylaminomethyl)-1-methyl-3-phenylpropyl ester
IUPAC: [1-(dimethylamino)-2-methyl-4-phenylbutan-2-yl] N-phenylcarbamate

Names & synonyms

77944-92-4CARBANILIC ACID, 1-(DIMETHYLAMINOMETHYL)-1-METHYL-3-PHENYLPROPYL ESTERRefChem:1081030alpha-Methyl-alpha-dimethylaminomethyl-phenylpropyl carbanilateBRN 33895831-(Dimethylamino)methyl-1-methyl-3-phenylpropyl carbanilate3-13-00-01815 (Beilstein Handbook Reference)DTXSID109991381-(Dimethylamino)-2-methyl-4-phenylbutan-2-yl hydrogen phenylcarbonimidate

Database identifiers

CAS: 77944-92-4
PubChem CID: 49522
DTXSID: DTXSID10999138
Nikkaji: J69.436C

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 41.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 8
Heavy atoms: 24
Formal charge: 0
Complexity: 374

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