Chemical ID: 4555990

CC(C)COc1ccc(cc1)C(=O)NC(=Cc2ccccc2)C(=O)N
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

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