ChemDB: Chemical Search
Download
Chemical ID: 6041849
Chemical ID:
6041849
Name [?]:
2-(9-oxo-3-tert-butyl-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)-N,N-dipropyl-acetamide
SMILES [?]:
CCCN(CCC)C(=O)CN1c2cc(ccc2OCC1=O)C(C)(C)C
InChi [?]:
InChI=1/C20H30N2O3/c1-6-10-21(11-7-2)18(23)13-22-16-12-15(20(3,4)5)8-9-17(16)25-14-19(22)24/h8-9,12H,6-7,10-11,13-14H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,7,23,24,25,2,6,15,16,3,5,13,10,19,14,12,17,8,20,22,4,11,9,21,18/E:(1,2)(3,4,5)(6,7)(10,11)/rA:25nCCCNCCCCOCNCCCCCCOCCOCCCC/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s17;s18;s11s19;d20;s14;s22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H30N2O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6429 |
Area: | 565.454 |
Solvation: | -3.49342 |
Coulombic: | -42.7604 |
Bond Count [?]
All: | 26 |
Single: | 21 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 346.464 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.49 |
LogP (Chemaxon): | 3.02 |
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 |
---|