ChemDB: Chemical Search
Download
Chemical ID: 6388567
Chemical ID:
6388567
Name [?]:
N-(4-acetylphenyl)-3,5-dimethoxy-benzamide
SMILES [?]:
CC(=O)c1ccc(cc1)NC(=O)c2cc(cc(c2)OC)OC
InChi [?]:
InChI=1/C17H17NO4/c1-11(19)12-4-6-14(7-5-12)18-17(20)13-8-15(21-2)10-16(9-13)22-3/h4-10H,1-3H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,20,22,5,9,6,8,18,14,16,2,4,13,7,17,15,11,10,3,12,19,21/E:(2,3)(4,5)(6,7)(8,9)(15,16)(21,22)/rA:22nCCOCCCCCCNCOCCCCCCOCOC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;d14;s15;d16;d13s17;s17;s19;s15;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17NO4 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.24216 |
Area: | 507.952 |
Solvation: | -5.45664 |
Coulombic: | -42.1587 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 299.321 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.66 |
LogP (Chemaxon): | 1.91 |
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 |
---|