ChemDB: Chemical Search
Download
Chemical ID: 6009753
Chemical ID:
6009753
Name [?]:
N-ethyl-N-[(5-methylisoxazol-3-yl)carbamoylmethyl]-4-pentyl-benzamide
SMILES [?]:
CCCCCc1ccc(cc1)C(=O)N(CC)CC(=O)Nc2cc(on2)C
InChi [?]:
InChI=1/C20H27N3O3/c1-4-6-7-8-16-9-11-17(12-10-16)20(25)23(5-2)14-19(24)21-18-13-15(3)26-22-18/h9-13H,4-8,14H2,1-3H3,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,16,26,2,15,3,4,5,7,11,8,10,22,17,23,6,9,21,18,12,20,25,14,19,13,24/E:(9,10)(11,12)/rA:26nCCCCCCCCCCCCONCCCCONCCCONC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;s14;s17;d18;s18;s20;s21;d22;s23;d21s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H27N3O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4978 |
Area: | 612.053 |
Solvation: | -3.80356 |
Coulombic: | -42.9917 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 357.447 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.62 |
LogP (Chemaxon): | 3.89 |
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 |
---|