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Molecule
5-[2-[Bis(Phenylmethyl)Amino]Acetyl]-2-Hydroxybenzamide
CAS: 30566-92-8 · C23H22N2O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 30566-92-8
- Molecular Formula
- C23H22N2O3
- Molecular Mass
- 374.44 g/mol
Identifiers
CAS Registry Number
30566-92-8
SMILES
N=C(O)c1cc(C(=O)CN(Cc2ccccc2)Cc2ccccc2)ccc1O
InChI Key
DNLPQXRWAKCKPX-UHFFFAOYSA-N
InChI
InChI=1S/C23H22N2O3/c24-23(28)20-13-19(11-12-21(20)26)22(27)16-25(14-17-7-3-1-4-8-17)15-18-9-5-2-6-10-18/h1-13,26H,14-16H2,(H2,24,28)
Names and Synonyms
- 5-[2-[Bis(Phenylmethyl)Amino]Acetyl]-2-Hydroxybenzamide Synonym
- Benzamide, 5-[2-[bis(phenylmethyl)amino]acetyl]-2-hydroxy- Synonym
- Salicylamide, 5-(N,N-dibenzylglycyl)- Synonym
- Benzamide, 5-[[bis(phenylmethyl)amino]acetyl]-2-hydroxy- Synonym
- 5-[2-[Bis(phenylmethyl)amino]acetyl]-2-hydroxybenzamide Synonym
- 5-(N,N-Dibenzylglycyl)salicylamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 374.44 g/mol | CAS Common Chemistry |
| Canonical SMILES | O=C(N)C1=CC(=CC=C1O)C(=O)CN(CC=2C=CC=CC2)CC=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C23H22N2O3/c24-23(28)20-13-19(11-12-21(20)26)22(27)16-25(14-17-7-3-1-4-8-17)15-18-9-5-2-6-10-18/h1-13,26H,14-16H2,(H2,24,28) | CAS Common Chemistry |
| InChI Key | InChIKey=DNLPQXRWAKCKPX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 179-180 °C @ Solvent: Ethyl acetate | CAS Common Chemistry |
| Name | 5-[2-[Bis(phenylmethyl)amino]acetyl]-2-hydroxybenzamide | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 84.62 Ų | RDKit |
| LogP | 4.160670000000004 | RDKit |
| 4.1607 | RDKit | |
| Molar Refractivity | 108.89280000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1304 | RDKit |
| 0.13 | chempirical lib | |
| Exact Mass | 374.16304256399997 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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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.
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MW = 374.44 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C23H22N2O3.
