Chemical ID: 5891584

Cc1cccc(c1NC(=O)Nc2ccc(c(c2)C(=O)NCc3ccccc3)N4CCC(CC4)C)C
Chemical ID:
5891584
Name [?]:
N-benzyl-5-[(2,6-dimethylphenyl)carbamoylamino]-2-(4-methyl-1-piperidyl)-benzamide
SMILES [?]:
Cc1cccc(c1NC(=O)Nc2ccc(c(c2)C(=O)NCc3ccccc3)N4CCC(CC4)C)C
InChi [?]:
InChI=1/C29H34N4O2/c1-20-14-16-33(17-15-20)26-13-12-24(31-29(35)32-27-21(2)8-7-9-22(27)3)18-25(26)28(34)30-19-23-10-5-4-6-11-23/h4-13,18,20H,14-17,19H2,1-3H3,(H,30,34)(H2,31,32,35)
InChi Info:
AuxInfo=1/1/N:34,1,35,25,24,26,4,3,5,23,27,13,14,30,32,29,33,17,21,31,2,6,22,12,16,15,7,18,9,20,11,8,28,19,10/E:(2,3)(5,6)(8,9)(10,11)(14,15)(16,17)(21,22)/rA:35nCCCCCCCNCONCCCCCCCONCCCCCCCNCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;d18;s18;s20;s21;s22;d23;s24;d25;d22s26;s15;s28;s29;s30;s31;s28s32;s31;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H34N4O2
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:14.3378
Area:738.63
Solvation:-4.12791
Coulombic:-63.4516
Bond Count [?]
All:38
Single:27
Double:11
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:470.606
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:5.63
LogP (Chemaxon):5.13

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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