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Chemical ID: 4193192
Chemical ID:
4193192
Name [?]:
N-[2-[2-(2,4-dimethylphenoxy)acetyl]aminophenyl]acetamide
SMILES [?]:
Cc1ccc(c(c1)C)OCC(=O)Nc2ccccc2NC(=O)C
InChi [?]:
InChI=1/C18H20N2O3/c1-12-8-9-17(13(2)10-12)23-11-18(22)20-16-7-5-4-6-15(16)19-14(3)21/h4-10H,11H2,1-3H3,(H,19,21)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,8,23,17,16,18,15,3,4,7,10,2,6,21,19,14,5,11,20,13,22,12,9/rA:23nCCCCCCCCOCCONCCCCCCNCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20N2O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.32697 |
Area: | 537.281 |
Solvation: | -5.10504 |
Coulombic: | -47.5105 |
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: | 2.59 |
LogP (Chemaxon): | 3.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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