Chemical ID: 5860226

CCCOc1ccccc1C=NNC(=O)CNC(=O)c2ccc(c(c2)OC)OC
Chemical ID:
5860226
Name [?]:
3,4-dimethoxy-N-[(2-propoxyphenyl)methyleneaminocarbamoylmethyl]benzamide
SMILES [?]:
CCCOc1ccccc1C=NNC(=O)CNC(=O)c2ccc(c(c2)OC)OC
InChi [?]:
InChI=1/C21H25N3O5/c1-4-11-29-17-8-6-5-7-16(17)13-23-24-20(25)14-22-21(26)15-9-10-18(27-2)19(12-15)28-3/h5-10,12-13H,4,11,14H2,1-3H3,(H,22,26)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,29,27,2,8,7,9,6,21,22,3,25,11,16,20,10,5,23,24,14,18,17,12,13,15,19,28,26,4/rA:29nCCCOCCCCCCCNNCOCNCOCCCCCCOCOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;w11;s12;s13;d14;s14;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s24;s26;s23;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H25N3O5
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:8.42988
Area:664.221
Solvation:-8.17564
Coulombic:-61.8259
Bond Count [?]
All:30
Single:21
Double:9
Rotors:12
Chiral:1
Rigid Segments:10
Chemical Properties
Molecular Weight:399.44
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:3.42
LogP (Chemaxon):2.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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