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Chemical ID: 5595639
Chemical ID:
5595639
Name [?]:
N-[(3-allyl-2-hydroxy-phenyl)methyleneamino]-2-(4-ethoxyphenyl)amino-acetamide
SMILES [?]:
CCOc1ccc(cc1)NCC(=O)NN=Cc2cccc(c2O)CC=C
InChi [?]:
InChI=1/C20H23N3O3/c1-3-6-15-7-5-8-16(20(15)25)13-22-23-19(24)14-21-17-9-11-18(12-10-17)26-4-2/h3,5,7-13,21,25H,1,4,6,14H2,2H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:26,1,25,2,19,24,20,18,6,8,5,9,16,11,21,17,7,4,12,22,10,15,14,13,23,3/E:(9,10)(11,12)/rA:26nCCOCCCCCCNCCONNCCCCCCCOCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s22;s21;s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23N3O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.53642 |
Area: | 613.065 |
Solvation: | -5.7902 |
Coulombic: | -55.4218 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 353.415 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 4.42 |
LogP (Chemaxon): | 3.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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