ChemDB: Chemical Search
Download
Chemical ID: 5873756
Chemical ID:
5873756
Name [?]:
N-(4-diethylamino-1-methyl-butyl)-N-[(4-ethoxyphenyl)methyl]benzamide
SMILES [?]:
CCN(CC)CCCC(C)N(Cc1ccc(cc1)OCC)C(=O)c2ccccc2
InChi [?]:
InChI=1/C25H36N2O2/c1-5-26(6-2)19-11-12-21(4)27(25(28)23-13-9-8-10-14-23)20-22-15-17-24(18-16-22)29-7-3/h8-10,13-18,21H,5-7,11-12,19-20H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,5,21,10,2,4,20,27,26,28,7,8,25,29,14,18,15,17,6,12,9,13,24,16,22,3,11,23,19/E:(1,2)(5,6)(9,10)(13,14)(15,16)(17,18)/rA:29cCCNCCCCCCCNCCCCCCCOCCCOCCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;s19;s20;s11;d22;s22;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H36N2O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.4861 |
Area: | 637.956 |
Solvation: | -3.46277 |
Coulombic: | -32.95 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 396.566 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.49 |
LogP (Chemaxon): | 4.64 |
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 |
---|