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Chemical ID: 7256845
Chemical ID:
7256845
Name [?]:
3-acetamido-N-(2,4-dimethoxyphenyl)-benzamide
SMILES [?]:
CC(=O)Nc1cccc(c1)C(=O)Nc2ccc(cc2OC)OC
InChi [?]:
InChI=1/C17H18N2O4/c1-11(20)18-13-6-4-5-12(9-13)17(21)19-15-8-7-14(22-2)10-16(15)23-3/h4-10H,1-3H3,(H,18,20)(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,23,21,7,8,6,16,15,10,18,2,9,5,17,14,19,11,4,13,3,12,22,20/rA:23nCCONCCCCCCCONCCCCCCOCOC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s9;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s20;s17;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18N2O4 |
All Atoms: | 41 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.9286 |
Area: | 523.235 |
Solvation: | -5.15227 |
Coulombic: | -55.0444 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 314.336 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.08 |
LogP (Chemaxon): | 1.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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