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Chemical ID: 6476891
Chemical ID:
6476891
Name [?]:
2-methyl-N-[2-[(3-oxo-5-phenyl-1-cyclohexenyl)amino]phenyl]-propanamide
SMILES [?]:
CC(C)C(=O)Nc1ccccc1NC2=CC(=O)CC(C2)c3ccccc3
InChi [?]:
InChI=1/C22H24N2O2/c1-15(2)22(26)24-21-11-7-6-10-20(21)23-18-12-17(13-19(25)14-18)16-8-4-3-5-9-16/h3-11,14-15,17,23H,12-13H2,1-2H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,3,24,23,25,10,9,22,26,11,8,20,18,15,2,21,19,14,16,12,7,4,13,6,17,5/E:(1,2)(4,5)(8,9)/rA:26cCCCCONCCCCCCNCCCOCCCCCCCCC/rB:s1;s2;s2;d4;s4;s6;s7;d8;s9;d10;d7s11;s12;s13;d14;s15;d16;s16;s18;s14s19;s19;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H24N2O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.9914 |
Area: | 576.442 |
Solvation: | -3.41968 |
Coulombic: | -40.5935 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 348.438 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.94 |
LogP (Chemaxon): | 4.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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