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Chemical ID: 5403655
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.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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