ChemDB: Chemical Search
Download
Chemical ID: 4433791
Chemical ID:
4433791
Name [?]:
N-[3-[(3,4-dimethylphenyl)carbamoylmethoxy]phenyl]acetamide
SMILES [?]:
Cc1ccc(cc1C)NC(=O)COc2cccc(c2)NC(=O)C
InChi [?]:
InChI=1/C18H20N2O3/c1-12-7-8-16(9-13(12)2)20-18(22)11-23-17-6-4-5-15(10-17)19-14(3)21/h4-10H,11H2,1-3H3,(H,19,21)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,8,23,16,17,15,3,4,6,19,12,2,7,21,18,5,14,10,20,9,22,11,13/rA:23nCCCCCCCCNCOCOCCCCCCNCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s18;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20N2O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.294 |
Area: | 539.658 |
Solvation: | -5.19745 |
Coulombic: | -46.6554 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 312.363 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.8 |
LogP (Chemaxon): | 3.14 |
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 |
---|