11-(1,4-dioxan-2-yl)-N-(4-methoxyphenyl)undecanamide
Basic information
- CAS
331236-45-4- Standard SMILES
COc1ccc(NC(=O)CCCCCCCCCCC2COCCO2)cc1- InChIKey
XYOKDQCCBRNXQN-UHFFFAOYSA-N- Molecular formula
- C22H35NO4
- Average molar mass
- 377.5 g/mol
Names & identifiers
- Preferred name
- 11-(1,4-dioxan-2-yl)-N-(4-methoxyphenyl)undecanamide
- IUPAC
- 11-(1,4-dioxan-2-yl)-N-(4-methoxyphenyl)undecanamide
- English name
- 11-(1,4-dioxan-2-yl)-N-[4-(methyloxy)phenyl]undecanamide
- Molecular formula
- C22H35NO4
- Molecular weight
- 377.52
Names & synonyms
11-(1,4-dioxan-2-yl)-N-[4-(methyloxy)phenyl]undecanamide11-(1,4-dioxan-2-yl)-N-(4-methoxyphenyl)undecanamideAG-690/094000521,4-Dioxane-2-undecanamide, N-(4-methoxyphenyl)-
Database identifiers
- CAS
331236-45-4
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 383
Physicochemical properties
- Boiling point
- 550.5 · 550.5±35.0 °C(Predicted)
- Density
- 1.049 · 1.049±0.06 g/cm3(Predicted)
- pka
- 14.45 · 14.45±0.70(Predicted)
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Compound notes
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