ChemDB: Chemical Search
Download
Chemical ID: 6652203
Chemical ID:
6652203
Name [?]:
N-[(2-ethoxyphenyl)methyleneaminocarbamoylmethyl]-3-methyl-benzamide
SMILES [?]:
CCOc1ccccc1C=NNC(=O)CNC(=O)c2cccc(c2)C
InChi [?]:
InChI=1/C19H21N3O3/c1-3-25-17-10-5-4-8-16(17)12-21-22-18(23)13-20-19(24)15-9-6-7-14(2)11-15/h4-12H,3,13H2,1-2H3,(H,20,24)(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,25,2,7,6,21,22,8,20,5,24,10,15,23,19,9,4,13,17,16,11,12,14,18,3/rA:25nCCOCCCCCCCNNCOCNCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;s12;d13;s13;s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21N3O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0314 |
Area: | 589.708 |
Solvation: | -4.71128 |
Coulombic: | -49.3385 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 339.388 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.94 |
LogP (Chemaxon): | 2.72 |
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 |
---|