ChemDB: Chemical Search
Download
Chemical ID: 5909560
Chemical ID:
5909560
Name [?]:
N-[(benzyl-(2-furylmethyl)carbamoyl)methyl]-N-(3-methoxypropyl)pentanamide
SMILES [?]:
CCCCC(=O)N(CCCOC)CC(=O)N(Cc1ccccc1)Cc2ccco2
InChi [?]:
InChI=1/C23H32N2O4/c1-3-4-13-22(26)24(14-9-15-28-2)19-23(27)25(18-21-12-8-16-29-21)17-20-10-6-5-7-11-20/h5-8,10-12,16H,3-4,9,13-15,17-19H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,2,3,21,20,22,27,9,19,23,26,4,8,10,28,17,24,13,18,25,5,14,7,16,6,15,11,29/E:(6,7)(10,11)/rA:29nCCCCCONCCCOCCCONCCCCCCCCCCCCO/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s10;s11;s7;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s16;s24;d25;s26;d27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H32N2O4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7469 |
Area: | 666.516 |
Solvation: | -5.91595 |
Coulombic: | -48.0127 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 15 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 400.511 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.84 |
LogP (Chemaxon): | 2.44 |
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 |
---|