Urea, 1-(N,N-dimethylalanyl)-3-(p-ethoxyphenyl)-

HCID 199335

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Basic information

CAS: 4046-47-3
Standard SMILES: CCOc1ccc(NC(=O)NC(=O)[C@H](C)N(C)C)cc1
InChIKey: JQHJJVWPQBINOR-JTQLQIEISA-N
Molecular formula: C14H21N3O3
Average molar mass: 279.33 g/mol
Monoisotopic mass: 279.15829154

Names & identifiers

Preferred name: Urea, 1-(N,N-dimethylalanyl)-3-(p-ethoxyphenyl)-
IUPAC: (2S)-2-(dimethylamino)-N-[(4-ethoxyphenyl)carbamoyl]propanamide

Names & synonyms

BRN 2814963Urea, 1-(N,N-dimethylalanyl)-3-(p-ethoxyphenyl)-1-(N,N-Dimethylalanyl)-3-(p-ethoxyphenyl)urea4046-47-3DTXSID30193474RefChem:387525DTXCID40115965N-[(4-Ethoxyphenyl)carbamoyl]-N~2~,N~2~-dimethyl-L-alaninamide

Database identifiers

CAS: 4046-47-3
PubChem CID: 199335
DTXSID: DTXSID30193474
Nikkaji: J59.460A

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 70.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 20
Formal charge: 0
Complexity: 326

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