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Chemical ID: 4555990
Chemical ID:
4555990
Name [?]:
N-(1-carbamoyl-2-phenyl-vinyl)-4-isobutoxy-benzamide
SMILES [?]:
CC(C)COc1ccc(cc1)C(=O)NC(=Cc2ccccc2)C(=O)N
InChi [?]:
InChI=1/C20H22N2O3/c1-14(2)13-25-17-10-8-16(9-11-17)20(24)22-18(19(21)23)12-15-6-4-3-5-7-15/h3-12,14H,13H2,1-2H3,(H2,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,3,20,19,21,18,22,8,10,7,11,16,4,2,17,9,6,15,23,12,25,14,24,13,5/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:25nCCCCOCCCCCCCONCCCCCCCCCON/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s15;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H22N2O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1041 |
Area: | 561.725 |
Solvation: | -3.93897 |
Coulombic: | -57.6301 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 338.4 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 3.47 |
LogP (Chemaxon): | 2.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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