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Chemical ID: 7056013
Chemical ID:
7056013
Name [?]:
N-(2,4-dimethylphenyl)-2-[4-(2-ethoxyethoxy)phenoxy]-acetamide
SMILES [?]:
CCOCCOc1ccc(cc1)OCC(=O)Nc2ccc(cc2C)C
InChi [?]:
InChI=1/C20H25NO4/c1-4-23-11-12-24-17-6-8-18(9-7-17)25-14-20(22)21-19-10-5-15(2)13-16(19)3/h5-10,13H,4,11-12,14H2,1-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,25,24,2,20,8,12,9,11,19,4,5,22,14,21,23,7,10,18,15,17,16,3,6,13/E:(6,7)(8,9)/rA:25nCCOCCOCCCCCCOCCONCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25NO4 |
All Atoms: | 50 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.86647 |
Area: | 603.473 |
Solvation: | -7.22034 |
Coulombic: | -42.5005 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 343.417 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.49 |
LogP (Chemaxon): | 3.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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