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Chemical ID: 5419490
Chemical ID:
5419490
Name [?]:
N-(4-acetamidophenyl)-3-dimethylamino-benzamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)NC(=O)c2cccc(c2)N(C)C
InChi [?]:
InChI=1/C17H19N3O2/c1-12(21)18-14-7-9-15(10-8-14)19-17(22)13-5-4-6-16(11-13)20(2)3/h4-11H,1-3H3,(H,18,21)(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,21,22,16,15,17,6,10,7,9,19,2,14,5,8,18,12,4,11,20,3,13/E:(2,3)(7,8)(9,10)/rA:22nCCONCCCCCCNCOCCCCCCNCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19N3O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.35651 |
Area: | 514.929 |
Solvation: | -3.51672 |
Coulombic: | -46.778 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 297.352 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.03 |
LogP (Chemaxon): | 2.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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