ChemDB: Chemical Search
Download
Chemical ID: 5902188
Chemical ID:
5902188
Name [?]:
3-methyl-N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]-butanamide
SMILES [?]:
CC(C)CC(=O)Nc1ccc(cc1)N2CCN(CC2)C(=O)CC(C)CC(C)(C)C
InChi [?]:
InChI=1/C24H39N3O2/c1-18(2)15-22(28)25-20-7-9-21(10-8-20)26-11-13-27(14-12-26)23(29)16-19(3)17-24(4,5)6/h7-10,18-19H,11-17H2,1-6H3,(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,3,24,27,28,29,9,13,10,12,15,19,16,18,4,22,25,2,23,8,11,5,20,26,7,14,17,6,21/E:(1,2)(4,5,6)(7,8)(9,10)(11,12)(13,14)/rA:29cCCCCCONCCCCCCNCCNCCCOCCCCCCCC/rB:s1;s2;s2;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s11;s14;s15;s16;s17;s14s18;s17;d20;s20;s22;s23;s23;s25;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H39N3O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.9476 |
Area: | 665.979 |
Solvation: | -3.70186 |
Coulombic: | -43.1871 |
Bond Count [?]
All: | 30 |
Single: | 25 |
Double: | 5 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 401.585 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.83 |
LogP (Chemaxon): | 5.01 |
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 |
---|