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Chemical ID: 4474503
Chemical ID:
4474503
Name [?]:
N-isobutyl-4-(4-methoxybenzoyl)amino-benzamide
SMILES [?]:
CC(C)CNC(=O)c1ccc(cc1)NC(=O)c2ccc(cc2)OC
InChi [?]:
InChI=1/C19H22N2O3/c1-13(2)12-20-18(22)14-4-8-16(9-5-14)21-19(23)15-6-10-17(24-3)11-7-15/h4-11,13H,12H2,1-3H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,3,24,9,13,18,22,10,12,19,21,4,2,8,17,11,20,6,15,5,14,7,16,23/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:24nCCCCNCOCCCCCCNCOCCCCCCOC/rB:s1;s2;s2;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22N2O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2542 |
Area: | 567.78 |
Solvation: | -3.94025 |
Coulombic: | -51.6571 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 326.39 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.39 |
LogP (Chemaxon): | 2.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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