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Chemical ID: 7431154
Chemical ID:
7431154
Name [?]:
N-(3-acetylphenyl)-2-(4-formyl-2-methoxy-phenoxy)-acetamide
SMILES [?]:
CC(=O)c1cccc(c1)NC(=O)COc2ccc(cc2OC)C=O
InChi [?]:
InChI=1/C18H17NO5/c1-12(21)14-4-3-5-15(9-14)19-18(22)11-24-16-7-6-13(10-20)8-17(16)23-2/h3-10H,11H2,1-2H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,22,6,5,7,17,16,19,9,23,13,2,18,4,8,15,20,11,10,24,3,12,21,14/rA:24nCCOCCCCCCNCOCOCCCCCCOCCO/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s20;s21;s18;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H17NO5 |
All Atoms: | 41 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.49248 |
Area: | 553.352 |
Solvation: | -9.34132 |
Coulombic: | -46.8755 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 327.331 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.86 |
LogP (Chemaxon): | 1.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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