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Chemical ID: 5799300
Chemical ID:
5799300
Name [?]:
N-[benzamido-(2,4-dimethoxyphenyl)-methyl]benzamide
SMILES [?]:
COc1ccc(c(c1)OC)C(NC(=O)c2ccccc2)NC(=O)c3ccccc3
InChi [?]:
InChI=1/C23H22N2O4/c1-28-18-13-14-19(20(15-18)29-2)21(24-22(26)16-9-5-3-6-10-16)25-23(27)17-11-7-4-8-12-17/h3-15,21H,1-2H3,(H,24,26)(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,10,18,27,17,19,26,28,16,20,25,29,4,5,8,15,24,3,6,7,11,13,22,12,21,14,23,2,9/E:(3,4)(5,6,7,8)(9,10,11,12)(16,17)(22,23)(24,25)(26,27)/gE:(1,2)/rA:29nCOCCCCCCOCCNCOCCCCCCNCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s11;s21;d22;s22;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H22N2O4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.74077 |
Area: | 613.753 |
Solvation: | -5.60305 |
Coulombic: | -60.0381 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 390.432 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.42 |
LogP (Chemaxon): | 3.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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