ChemDB: Chemical Search
Download
Chemical ID: 4357568
Chemical ID:
4357568
Name [?]:
N-[2-(2,6-dimethylmorpholin-4-yl)carbonylphenyl]-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)Nc2ccccc2C(=O)N3CC(OC(C3)C)C
InChi [?]:
InChI=1/C21H24N2O3/c1-14-8-10-17(11-9-14)20(24)22-19-7-5-4-6-18(19)21(25)23-12-15(2)26-16(3)13-23/h4-11,15-16H,12-13H2,1-3H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,25,26,14,13,15,12,3,7,4,6,24,20,2,23,21,5,16,11,8,17,10,19,9,18,22/E:(2,3)(8,9)(10,11)(12,13)(15,16)/rA:26cCCCCCCCCONCCCCCCCONCCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;d17;s17;s19;s20;s21;s22;s19s23;s23;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H24N2O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.6615 |
Area: | 573.217 |
Solvation: | -3.66893 |
Coulombic: | -48.7231 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 352.427 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.93 |
LogP (Chemaxon): | 3.85 |
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 |
---|