ChemDB: Chemical Search
Download
Chemical ID: 4234474
Chemical ID:
4234474
Name [?]:
N-benzyl-N-ethyl-2-methoxy-acetamide
SMILES [?]:
CCN(Cc1ccccc1)C(=O)COC
InChi [?]:
InChI=1/C12H17NO2/c1-3-13(12(14)10-15-2)9-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,2,8,7,9,6,10,4,13,5,11,3,12,14/E:(5,6)(7,8)/rA:15nCCNCCCCCCCCOCOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s3;d11;s11;s13;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17NO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.91852 |
Area: | 401.425 |
Solvation: | -4.11711 |
Coulombic: | -25.2477 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 207.269 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.47 |
LogP (Chemaxon): | 1.3 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|