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Chemical ID: 5859795
Chemical ID:
5859795
Name [?]:
N-(2-butylphenyl)-3,4-dimethoxy-benzamide
SMILES [?]:
CCCCc1ccccc1NC(=O)c2ccc(c(c2)OC)OC
InChi [?]:
InChI=1/C19H23NO3/c1-4-5-8-14-9-6-7-10-16(14)20-19(21)15-11-12-17(22-2)18(13-15)23-3/h6-7,9-13H,4-5,8H2,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,23,21,2,3,7,8,4,6,9,15,16,19,5,14,10,17,18,12,11,13,22,20/rA:23nCCCCCCCCCCNCOCCCCCCOCOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;s20;s17;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23NO3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.38883 |
Area: | 539.41 |
Solvation: | -5.09642 |
Coulombic: | -36.9219 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 313.391 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.38 |
LogP (Chemaxon): | 3.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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