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Chemical ID: 7020137
Chemical ID:
7020137
Name [?]:
N-[benzamido-(4-isopentyloxyphenyl)-methyl]benzamide
SMILES [?]:
CC(C)CCOc1ccc(cc1)C(NC(=O)c2ccccc2)NC(=O)c3ccccc3
InChi [?]:
InChI=1/C26H28N2O3/c1-19(2)17-18-31-23-15-13-20(14-16-23)24(27-25(29)21-9-5-3-6-10-21)28-26(30)22-11-7-4-8-12-22/h3-16,19,24H,17-18H2,1-2H3,(H,27,29)(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,3,20,29,19,21,28,30,18,22,27,31,9,11,8,12,4,5,2,10,17,26,7,13,15,24,14,23,16,25,6/E:(1,2)(3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16)(21,22)(25,26)(27,28)(29,30)/gE:(1,2)/rA:31nCCCCCOCCCCCCCNCOCCCCCCNCOCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s13;s23;d24;s24;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H28N2O3 |
All Atoms: | 59 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.9964 |
Area: | 697.938 |
Solvation: | -4.45209 |
Coulombic: | -55.1942 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 416.512 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 6.37 |
LogP (Chemaxon): | 5.11 |
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.
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