Chemical ID: 5859036

Cc1ccc(cc1)C(=O)NC(C(C)C)C(=O)NN=Cc2ccc(cc2C)N3CCCC3
Chemical ID:
5859036
Name [?]:
4-methyl-N-[2-methyl-1-[(2-methyl-4-pyrrolidin-1-yl-phenyl)methyleneaminocarbamoyl]propyl]-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)NC(C(C)C)C(=O)NN=Cc2ccc(cc2C)N3CCCC3
InChi [?]:
InChI=1/C25H32N4O2/c1-17(2)23(27-24(30)20-9-7-18(3)8-10-20)25(31)28-26-16-21-11-12-22(15-19(21)4)29-13-5-6-14-29/h7-12,15-17,23H,5-6,13-14H2,1-4H3,(H,27,30)(H,28,31)
InChi Info:
AuxInfo=1/1/N:13,14,1,26,29,30,3,7,4,6,21,22,28,31,24,19,12,2,25,5,20,23,11,8,15,18,10,17,27,9,16/E:(1,2)(5,6)(7,8)(9,10)(13,14)/rA:31cCCCCCCCCONCCCCCONNCCCCCCCCNCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;s12;s11;d15;s15;s17;w18;s19;s20;d21;s22;d23;d20s24;s25;s23;s27;s28;s29;s27s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H32N4O2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:12.9678
Area:677.265
Solvation:-3.96378
Coulombic:-48.9234
Bond Count [?]
All:33
Single:24
Double:9
Rotors:9
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:420.547
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:5.94
LogP (Chemaxon):5.1

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