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Chemical ID: 6644126
Chemical ID:
6644126
Name [?]:
N-[(4-hydroxyphenyl)methyleneamino]-2-(5-isopropyl-2-methyl-phenoxy)-acetamide
SMILES [?]:
Cc1ccc(cc1OCC(=O)NN=Cc2ccc(cc2)O)C(C)C
InChi [?]:
InChI=1/C19H22N2O3/c1-13(2)16-7-4-14(3)18(10-16)24-12-19(23)21-20-11-15-5-8-17(22)9-6-15/h4-11,13,22H,12H2,1-3H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:23,24,1,3,16,20,4,17,19,6,14,9,22,2,15,5,18,7,10,13,12,21,11,8/E:(1,2)(5,6)(8,9)/rA:24nCCCCCCCOCCONNCCCCCCCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s18;s5;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22N2O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.92514 |
Area: | 566.019 |
Solvation: | -6.22535 |
Coulombic: | -42.2759 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 326.39 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.9 |
LogP (Chemaxon): | 4.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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