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Chemical ID: 5781431
Chemical ID:
5781431
Name [?]:
N-[(4-ethylphenyl)methyleneamino]-2-(5-methyl-2-tert-butyl-phenoxy)-acetamide
SMILES [?]:
CCc1ccc(cc1)C=NNC(=O)COc2cc(ccc2C(C)(C)C)C
InChi [?]:
InChI=1/C22H28N2O2/c1-6-17-8-10-18(11-9-17)14-23-24-21(25)15-26-20-13-16(2)7-12-19(20)22(3,4)5/h7-14H,6,15H2,1-5H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,26,23,24,25,2,19,4,8,5,7,20,17,9,14,18,3,6,21,16,12,22,10,11,13,15/E:(3,4,5)(8,9)(10,11)/rA:26nCCCCCCCCCNNCOCOCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s21;s22;s22;s22;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H28N2O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.104 |
Area: | 602.007 |
Solvation: | -4.94621 |
Coulombic: | -28.0051 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 352.47 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 6.62 |
LogP (Chemaxon): | 5.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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