Chemical ID: 6476891

CC(C)C(=O)Nc1ccccc1NC2=CC(=O)CC(C2)c3ccccc3
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

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