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Molecule
Hexadecanamide
CAS: 629-54-9 · C16H33NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 629-54-9
- Molecular Formula
- C16H33NO
- Molecular Mass
- 255.45 g/mol
Identifiers
CAS Registry Number
629-54-9
SMILES
CCCCCCCCCCCCCCCC(=N)O
InChI Key
HSEMFIZWXHQJAE-UHFFFAOYSA-N
InChI
InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)
Names and Synonyms
- Hexadecanamide Synonym
- Hexadecanamide Synonym
- Palmitamide Synonym
- Amide 16 Synonym
- Amide HPL Synonym
- Cetyl amide Synonym
- Palmitic acid amide Synonym
- Palmitic amide Synonym
- n-Hexadecanamide Synonym
- Amide P Synonym
- Diamid KP Synonym
- Palmitoyl amide Synonym
- NSC 3327 Synonym
- Diamid BP Synonym
- T 21 Synonym
- T 21 (amide) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 255.45 g/mol | CAS Common Chemistry |
| 255.44599999999994 g/mol | RDKit | |
| 255.446 g/mol | RDKit | |
| Canonical SMILES | O=C(N)CCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18) | CAS Common Chemistry |
| InChI Key | InChIKey=HSEMFIZWXHQJAE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 107 °C | CAS Common Chemistry |
| Name | Hexadecanamide | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 14 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 44.08 Ų | RDKit |
| LogP | 6.002970000000006 | RDKit |
| 6.003 | RDKit | |
| 5.54 | chempirical lib | |
| Molar Refractivity | 80.66750000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9375 | RDKit |
| 0.94 | chempirical lib | |
| Exact Mass | 255.256214676 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 255.45 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C16H33NO.
