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Chemical ID: 6486949
Chemical ID:
6486949
Name [?]:
N'-[(4-allyloxyphenyl)methyleneamino]-N-(4-ethoxyphenyl)-oxamide
SMILES [?]:
CCOc1ccc(cc1)NC(=O)C(=O)NN=Cc2ccc(cc2)OCC=C
InChi [?]:
InChI=1/C20H21N3O4/c1-3-13-27-18-9-5-15(6-10-18)14-21-23-20(25)19(24)22-16-7-11-17(12-8-16)26-4-2/h3,5-12,14H,1,4,13H2,2H3,(H,22,24)(H,23,25)
InChi Info:
AuxInfo=1/1/N:27,1,26,2,19,23,6,8,20,22,5,9,25,17,18,7,4,21,11,13,16,10,15,12,14,3,24/E:(5,6)(7,8)(9,10)(11,12)/rA:27nCCOCCCCCCNCOCONNCCCCCCCOCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s21;s24;s25;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H21N3O4 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3593 |
Area: | 623.589 |
Solvation: | -5.23037 |
Coulombic: | -60.3611 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 11 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 367.399 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 3.89 |
LogP (Chemaxon): | 3.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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