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Chemical ID: 4456860
Chemical ID:
4456860
Name [?]:
2-(4-formylphenoxy)-N-(2-isopropylphenyl)-acetamide
SMILES [?]:
CC(C)c1ccccc1NC(=O)COc2ccc(cc2)C=O
InChi [?]:
InChI=1/C18H19NO3/c1-13(2)16-5-3-4-6-17(16)19-18(21)12-22-15-9-7-14(11-20)8-10-15/h3-11,13H,12H2,1-2H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,3,6,7,5,8,17,19,16,20,21,13,2,18,15,4,9,11,10,22,12,14/E:(1,2)(7,8)(9,10)/rA:22nCCCCCCCCCNCOCOCCCCCCCO/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s18;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19NO3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.54734 |
Area: | 524.308 |
Solvation: | -5.56037 |
Coulombic: | -35.7414 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 297.348 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.56 |
LogP (Chemaxon): | 3.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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