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Chemical ID: 7422990
Chemical ID:
7422990
Name [?]:
N-(2-ethoxyphenyl)-2-(4-formylphenoxy)-acetamide
SMILES [?]:
CCOc1ccccc1NC(=O)COc2ccc(cc2)C=O
InChi [?]:
InChI=1/C17H17NO4/c1-2-21-16-6-4-3-5-15(16)18-17(20)12-22-14-9-7-13(11-19)8-10-14/h3-11H,2,12H2,1H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,2,7,6,8,5,17,19,16,20,21,13,18,15,9,4,11,10,22,12,3,14/E:(7,8)(9,10)/rA:22nCCOCCCCCCNCOCOCCCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s18;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17NO4 |
All Atoms: | 39 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.85571 |
Area: | 522.978 |
Solvation: | -6.21875 |
Coulombic: | -43.0294 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 299.321 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.71 |
LogP (Chemaxon): | 2.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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