ChemDB: Chemical Search
Download
Chemical ID: 6016736
Chemical ID:
6016736
Name [?]:
N-[(benzo[1,3]dioxol-5-ylmethyl-(2-furylmethyl)carbamoyl)methyl]-N-isopropyl-hexanamide
SMILES [?]:
CCCCCC(=O)N(CC(=O)N(Cc1ccc2c(c1)OCO2)Cc3ccco3)C(C)C
InChi [?]:
InChI=1/C24H32N2O5/c1-4-5-6-9-23(27)26(18(2)3)16-24(28)25(15-20-8-7-12-29-20)14-19-10-11-21-22(13-19)31-17-30-21/h7-8,10-13,18H,4-6,9,14-17H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,30,31,2,3,4,26,25,5,15,16,27,19,13,23,9,21,29,14,24,17,18,6,10,12,8,7,11,28,22,20/E:(2,3)/rA:31nCCCCCCONCCONCCCCCCCOCOCCCCCOCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s18;s20;s17s21;s12;s23;d24;s25;d26;s24s27;s8;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H32N2O5 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.786 |
Area: | 670.762 |
Solvation: | -5.98307 |
Coulombic: | -55.8189 |
Bond Count [?]
All: | 33 |
Single: | 26 |
Double: | 7 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 428.521 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.88 |
LogP (Chemaxon): | 3.39 |
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 |
---|