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Chemical ID: 6663844
Chemical ID:
6663844
Name [?]:
N-(2,5-diethoxyphenyl)-2-phenoxy-acetamide
SMILES [?]:
CCOc1ccc(c(c1)NC(=O)COc2ccccc2)OCC
InChi [?]:
InChI=1/C18H21NO4/c1-3-21-15-10-11-17(22-4-2)16(12-15)19-18(20)13-23-14-8-6-5-7-9-14/h5-12H,3-4,13H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,23,2,22,18,17,19,16,20,5,6,9,13,15,4,8,7,11,10,12,3,21,14/E:(6,7)(8,9)/rA:23nCCOCCCCCCNCOCOCCCCCCOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s7;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21NO4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.60595 |
Area: | 550.265 |
Solvation: | -6.15066 |
Coulombic: | -43.2301 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 315.364 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.35 |
LogP (Chemaxon): | 3.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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