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Chemical ID: 6839054
Chemical ID:
6839054
Name [?]:
N-benzyl-4-[(2,5-dimethoxyphenyl)carbamoylmethoxy]benzamide
SMILES [?]:
COc1ccc(c(c1)NC(=O)COc2ccc(cc2)C(=O)NCc3ccccc3)OC
InChi [?]:
InChI=1/C24H24N2O5/c1-29-20-12-13-22(30-2)21(14-20)26-23(27)16-31-19-10-8-18(9-11-19)24(28)25-15-17-6-4-3-5-7-17/h3-14H,15-16H2,1-2H3,(H,25,28)(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,31,27,26,28,25,29,16,18,15,19,4,5,8,23,12,24,17,14,3,7,6,10,20,22,9,11,21,2,30,13/E:(4,5)(6,7)(8,9)(10,11)/rA:31nCOCCCCCCNCOCOCCCCCCCONCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;d20;s20;s22;s23;s24;d25;s26;d27;d24s28;s6;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H24N2O5 |
All Atoms: | 55 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.61085 |
Area: | 687.094 |
Solvation: | -7.5665 |
Coulombic: | -65.2654 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 420.458 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 3.62 |
LogP (Chemaxon): | 3.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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