Basic information
- CAS
6520-73-6- Standard SMILES
O=C(CC1CNCCO1)NC(=O)NC1CCc2ccccc21- InChIKey
JKZMXHDRUZKPOA-UHFFFAOYSA-N- Molecular formula
- C16H21N3O3
- Average molar mass
- 303.36 g/mol
- Monoisotopic mass
- 303.15829154
Names & identifiers
- Preferred name
- Urea, 1-(2-morpholinoacetyl)-3-(1-indanyl)-
- IUPAC
- N-(2,3-dihydro-1H-inden-1-ylcarbamoyl)-2-morpholin-2-ylacetamide
- English name
- 1-(Morpholinoacetyl)-3-(indan-1-yl)urea
- Molecular formula
- C16H21N3O3
- Molecular weight
- 303.36
Names & synonyms
BRN 11528341-(2-Morpholinoacetyl)-3-(1-indanyl)urea6520-73-6Urea, 1-(2-morpholinoacetyl)-3-(1-indanyl)-RefChem:387382DTXSID50983793N-{[(2,3-Dihydro-1H-inden-1-yl)imino](hydroxy)methyl}(morpholin-2-yl)ethanimidic acidN-{[(2,3-Dihydro-1H-inden-1-yl)imino](hydroxy)methyl}-2-(morpholin-2-yl)ethanimidic acid1-(Morpholinoacetyl)-3-(indan-1-yl)urea1-(Indan-1-yl)-3-(morpholinoacetyl)urea4-Morpholineacetamide, N-[[(2,3-dihydro-1H-inden-1-yl)amino]carbonyl]-
Database identifiers
- CAS
6520-73-6- PubChem CID
- 110889
- DTXSID
DTXSID50983793
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 415
Physicochemical properties
- Melting point
- 122.5 °C · 122.5 °C
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 11.92 · 11.92±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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