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Chemical ID: 4308348
Chemical ID:
4308348
Name [?]:
N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenoxy)-acetamide
SMILES [?]:
COc1ccc(cc1)OCC(=O)Nc2ccc(c(c2)OC)OC
InChi [?]:
InChI=1/C17H19NO5/c1-20-13-5-7-14(8-6-13)23-11-17(19)18-12-4-9-15(21-2)16(10-12)22-3/h4-10H,11H2,1-3H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,23,21,15,4,8,5,7,16,19,10,14,3,6,17,18,11,13,12,2,22,20,9/E:(5,6)(7,8)/rA:23nCOCCCCCCOCCONCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s20;s17;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19NO5 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.70646 |
Area: | 533.741 |
Solvation: | -8.63707 |
Coulombic: | -47.7778 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 317.336 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.15 |
LogP (Chemaxon): | 2.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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