ChemDB: Chemical Search
Download
Chemical ID: 6002096
Chemical ID:
6002096
Name [?]:
3-methoxy-N-(2-methoxyethyl)-N-[(5-methylisoxazol-3-yl)carbamoylmethyl]benzamide
SMILES [?]:
Cc1cc(no1)NC(=O)CN(CCOC)C(=O)c2cccc(c2)OC
InChi [?]:
InChI=1/C17H21N3O5/c1-12-9-15(19-25-12)18-16(21)11-20(7-8-23-2)17(22)13-5-4-6-14(10-13)24-3/h4-6,9-10H,7-8,11H2,1-3H3,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,15,25,20,19,21,12,13,3,23,10,2,18,22,4,8,16,7,5,11,9,17,14,24,6/rA:25nCCCCNONCOCNCCOCCOCCCCCCOC/rB:s1;d2;s3;d4;s2s5;s4;s7;d8;s8;s10;s11;s12;s13;s14;s11;d16;s16;s18;d19;s20;d21;d18s22;s22;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H21N3O5 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.49842 |
Area: | 558.553 |
Solvation: | -7.4654 |
Coulombic: | -54.1055 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 347.366 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.32 |
LogP (Chemaxon): | 1.07 |
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 |
---|