ChemDB: Chemical Search
Download
Chemical ID: 5909578
Chemical ID:
5909578
Name [?]:
N-[(benzyl-(2-furylmethyl)carbamoyl)methyl]-N-(3-methoxypropyl)hexanamide
SMILES [?]:
CCCCCC(=O)N(CCCOC)CC(=O)N(Cc1ccccc1)Cc2ccco2
InChi [?]:
InChI=1/C24H34N2O4/c1-3-4-6-14-23(27)25(15-10-16-29-2)20-24(28)26(19-22-13-9-17-30-22)18-21-11-7-5-8-12-21/h5,7-9,11-13,17H,3-4,6,10,14-16,18-20H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,2,3,22,4,21,23,28,10,20,24,27,5,9,11,29,18,25,14,19,26,6,15,8,17,7,16,12,30/E:(7,8)(11,12)/rA:30nCCCCCCONCCCOCCCONCCCCCCCCCCCCO/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s12;s8;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s17;s25;d26;s27;d28;s26s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H34N2O4 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1537 |
Area: | 702.681 |
Solvation: | -6.41331 |
Coulombic: | -47.938 |
Bond Count [?]
All: | 31 |
Single: | 24 |
Double: | 7 |
Rotors: | 16 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 414.538 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.41 |
LogP (Chemaxon): | 2.84 |
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 |
---|