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Chemical ID: 4198510
Chemical ID:
4198510
Name [?]:
N-(3,4-dimethoxyphenyl)-2-(4-ethylphenoxy)-acetamide
SMILES [?]:
CCc1ccc(cc1)OCC(=O)Nc2ccc(c(c2)OC)OC
InChi [?]:
InChI=1/C18H21NO4/c1-4-13-5-8-15(9-6-13)23-12-18(20)19-14-7-10-16(21-2)17(11-14)22-3/h5-11H,4,12H2,1-3H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,23,21,2,4,8,15,5,7,16,19,10,3,14,6,17,18,11,13,12,22,20,9/E:(5,6)(8,9)/rA:23nCCCCCCCCOCCONCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s20;s17;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21NO4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.31065 |
Area: | 544.612 |
Solvation: | -7.30464 |
Coulombic: | -41.8942 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 315.364 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.14 |
LogP (Chemaxon): | 3.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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