T4M
N-[(1R)-1-(naphthalen-1-yl)ethyl]acetamide
Created: | 2020-03-16 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 31 |
Chiral Atom Count | 1 |
Bond Count | 32 |
Aromatic Bond Count | 11 |
Chemical Component Summary | |
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Name | N-[(1R)-1-(naphthalen-1-yl)ethyl]acetamide |
Systematic Name (OpenEye OEToolkits) | ~{N}-[(1~{S})-1-naphthalen-1-ylethyl]ethanamide |
Formula | C14 H15 N O |
Molecular Weight | 213.275 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(cccc2c1cccc2)C(NC(=O)C)C |
SMILES | CACTVS | 3.385 | C[CH](NC(C)=O)c1cccc2ccccc12 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1cccc2c1cccc2)NC(=O)C |
Canonical SMILES | CACTVS | 3.385 | C[C@@H](NC(C)=O)c1cccc2ccccc12 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | C[C@@H](c1cccc2c1cccc2)NC(=O)C |
InChI | InChI | 1.03 | InChI=1S/C14H15NO/c1-10(15-11(2)16)13-9-5-7-12-6-3-4-8-14(12)13/h3-10H,1-2H3,(H,15,16)/t10-/m1/s1 |
InChIKey | InChI | 1.03 | RFWQKLFRYNTMOB-SNVBAGLBSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 852722 |
CCDC/CSD | TNAPHB, TNAPHC |