ChemDB: Chemical Search
Download
Chemical ID: 5874127
Chemical ID:
5874127
Name [?]:
N-benzyl-3-(m-tolylcarbamoyl-(1-phenylethyl)amino)-propanamide
SMILES [?]:
Cc1cccc(c1)NC(=O)N(CCC(=O)NCc2ccccc2)C(C)c3ccccc3
InChi [?]:
InChI=1/C26H29N3O2/c1-20-10-9-15-24(18-20)28-26(31)29(21(2)23-13-7-4-8-14-23)17-16-25(30)27-19-22-11-5-3-6-12-22/h3-15,18,21H,16-17,19H2,1-2H3,(H,27,30)(H,28,31)
InChi Info:
AuxInfo=1/1/N:1,25,21,29,20,22,28,30,4,3,19,23,27,31,5,13,12,7,17,2,24,18,26,6,14,9,16,8,11,15,10/E:(5,6)(7,8)(11,12)(13,14)/rA:31cCCCCCCCNCONCCCONCCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s11;s24;s24;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H29N3O2 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.8012 |
Area: | 690.84 |
Solvation: | -3.46977 |
Coulombic: | -54.2949 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 415.527 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.77 |
LogP (Chemaxon): | 5.13 |
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 |
---|