Chemical ID: 5403655

CCCCOc1ccc(cc1OC)C(NC(=O)c2ccccc2)NC(=O)c3ccccc3
Chemical ID:
5403655
Name [?]:
N-[benzamido-(4-butoxy-3-methoxy-phenyl)-methyl]benzamide
SMILES [?]:
CCCCOc1ccc(cc1OC)C(NC(=O)c2ccccc2)NC(=O)c3ccccc3
InChi [?]:
InChI=1/C26H28N2O4/c1-3-4-17-32-22-16-15-21(18-23(22)31-2)24(27-25(29)19-11-7-5-8-12-19)28-26(30)20-13-9-6-10-14-20/h5-16,18,24H,3-4,17H2,1-2H3,(H,27,29)(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,13,2,3,21,30,20,22,29,31,19,23,28,32,8,7,4,10,18,27,9,6,11,14,16,25,15,24,17,26,12,5/E:(5,6)(7,8,9,10)(11,12,13,14)(19,20)(25,26)(27,28)(29,30)/gE:(1,2)/rA:32nCCCCOCCCCCCOCCNCOCCCCCCNCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;s9;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s14;s24;d25;s25;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H28N2O4
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:10.987
Area:702.833
Solvation:-6.58379
Coulombic:-61.0125
Bond Count [?]
All:34
Single:23
Double:11
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:432.512
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:5.51
LogP (Chemaxon):4.53

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue