ChemDB: Chemical Search
Download
Chemical ID: 5976320
Chemical ID:
5976320
Name [?]:
2-dimethylamino-5-(4-ethylbenzoyl)amino-N-(1-phenylethyl)benzamide
SMILES [?]:
CCc1ccc(cc1)C(=O)Nc2ccc(c(c2)C(=O)NC(C)c3ccccc3)N(C)C
InChi [?]:
InChI=1/C26H29N3O2/c1-5-19-11-13-21(14-12-19)25(30)28-22-15-16-24(29(3)4)23(17-22)26(31)27-18(2)20-9-7-6-8-10-20/h6-18H,5H2,1-4H3,(H,27,31)(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,22,30,31,2,26,25,27,24,28,4,8,5,7,13,14,17,21,3,23,6,12,16,15,9,18,20,11,29,10,19/E:(3,4)(7,8)(9,10)(11,12)(13,14)/rA:31cCCCCCCCCCONCCCCCCCONCCCCCCCCNCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;d18;s18;s20;s21;s21;s23;d24;s25;d26;d23s27;s15;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H29N3O2 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.0869 |
Area: | 683.093 |
Solvation: | -3.99037 |
Coulombic: | -51.3604 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 415.527 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.74 |
LogP (Chemaxon): | 5.32 |
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 |
---|