Chemical ID: 5859795

CCCCc1ccccc1NC(=O)c2ccc(c(c2)OC)OC
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

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Descriptor Annotations

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