ChemDB: Chemical Search
Download
Chemical ID: 4567041
Chemical ID:
4567041
Name [?]:
N-[3-(4-isopropoxyphenyl)-4-methyl-pentyl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILES [?]:
CC(C)C(CCN(Cc1ccc(cc1)OC)C(=O)C)c2ccc(cc2)OC(C)C
InChi [?]:
InChI=1/C25H35NO3/c1-18(2)25(22-9-13-24(14-10-22)29-19(3)4)15-16-26(20(5)27)17-21-7-11-23(28-6)12-8-21/h7-14,18-19,25H,15-17H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,3,28,29,19,16,10,14,21,25,11,13,22,24,5,6,8,2,27,17,9,20,12,23,4,7,18,15,26/E:(1,2)(3,4)(7,8)(9,10)(11,12)(13,14)/rA:29cCCCCCCNCCCCCCCOCCOCCCCCCCOCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s12;s15;s7;d17;s17;s4;s20;d21;s22;d23;d20s24;s23;s26;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H35NO3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.823 |
Area: | 655.268 |
Solvation: | -4.5587 |
Coulombic: | -33.0806 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 397.55 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 6.08 |
LogP (Chemaxon): | 4.97 |
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 |
---|