Chemical ID: 5888924

CC(C)NC(=O)c1cc(ccc1N2CCC(CC2)Cc3ccccc3)NC(=O)CC(C)CC(C)(C)C
Chemical ID:
5888924
Name [?]:
N-[4-(4-benzyl-1-piperidyl)-3-(isopropylcarbamoyl)phenyl]-3,5,5-trimethyl-hexanamide
SMILES [?]:
CC(C)NC(=O)c1cc(ccc1N2CCC(CC2)Cc3ccccc3)NC(=O)CC(C)CC(C)(C)C
InChi [?]:
InChI=1/C31H45N3O2/c1-22(2)32-30(36)27-20-26(33-29(35)18-23(3)21-31(4,5)6)12-13-28(27)34-16-14-25(15-17-34)19-24-10-8-7-9-11-24/h7-13,20,22-23,25H,14-19,21H2,1-6H3,(H,32,36)(H,33,35)
InChi Info:
AuxInfo=1/1/N:1,3,31,34,35,36,23,22,24,21,25,10,11,15,17,14,18,29,19,8,32,2,30,20,16,9,7,12,27,5,33,4,26,13,28,6/E:(1,2)(4,5,6)(8,9)(10,11)(14,15)(16,17)/rA:36cCCCNCOCCCCCCNCCCCCCCCCCCCNCOCCCCCCCC/rB:s1;s2;s2;s4;d5;s5;s7;d8;s9;d10;d7s11;s12;s13;s14;s15;s16;s13s17;s16;s19;s20;d21;s22;d23;d20s24;s9;s26;d27;s27;s29;s30;s30;s32;s33;s33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H45N3O2
All Atoms:36
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:15.6063
Area:786.659
Solvation:-4.06019
Coulombic:-50.1414
Bond Count [?]
All:38
Single:30
Double:8
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:491.708
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:8.17
LogP (Chemaxon):6.87

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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