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Chemical ID: 7429252
Chemical ID:
7429252
Name [?]:
2-(4-formylphenoxy)-N-(3-methoxyphenyl)-acetamide
SMILES [?]:
COc1cccc(c1)NC(=O)COc2ccc(cc2)C=O
InChi [?]:
InChI=1/C16H15NO4/c1-20-15-4-2-3-13(9-15)17-16(19)11-21-14-7-5-12(10-18)6-8-14/h2-10H,11H2,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,16,18,15,19,8,20,12,17,7,14,3,10,9,21,11,2,13/E:(5,6)(7,8)/rA:21nCOCCCCCCNCOCOCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;d20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15NO4 |
All Atoms: | 36 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.71668 |
Area: | 498.668 |
Solvation: | -6.75002 |
Coulombic: | -41.5415 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 285.295 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.29 |
LogP (Chemaxon): | 2.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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