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Chemical ID: 6490357
Chemical ID:
6490357
Name [?]:
2-(2-allylphenoxy)-N-[(3-methoxyphenyl)methyleneamino]acetamide
SMILES [?]:
COc1cccc(c1)C=NNC(=O)COc2ccccc2CC=C
InChi [?]:
InChI=1/C19H20N2O3/c1-3-7-16-9-4-5-11-18(16)24-14-19(22)21-20-13-15-8-6-10-17(12-15)23-2/h3-6,8-13H,1,7,14H2,2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:24,1,23,19,18,5,22,6,20,4,17,8,9,14,7,21,3,16,12,10,11,13,2,15/rA:24nCOCCCCCCCNNCOCOCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s21;s22;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20N2O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.53628 |
Area: | 566.351 |
Solvation: | -6.6225 |
Coulombic: | -35.0385 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 324.374 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.67 |
LogP (Chemaxon): | 3.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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