ChemDB: Chemical Search
Download
Chemical ID: 4550394
Chemical ID:
4550394
Name [?]:
N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)Nc2ccc(c(c2)OC)NC(=O)C(C)C
InChi [?]:
InChI=1/C19H22N2O3/c1-12(2)18(22)21-16-10-9-15(11-17(16)24-4)20-19(23)14-7-5-13(3)6-8-14/h5-12H,1-4H3,(H,20,23)(H,21,22)
InChi Info:
AuxInfo=1/1/N:23,24,1,18,3,7,4,6,12,13,16,22,2,5,11,14,15,20,8,10,19,21,9,17/E:(1,2)(5,6)(7,8)/rA:24nCCCCCCCCONCCCCCCOCNCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;s17;s14;s19;d20;s20;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22N2O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.90113 |
Area: | 552.677 |
Solvation: | -3.9158 |
Coulombic: | -49.831 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 326.39 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.72 |
LogP (Chemaxon): | 3.83 |
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 |
---|