Chemical ID: 5888916

CC(C)NC(=O)c1cc(ccc1N2CCC(CC2)Cc3ccccc3)NC(=O)CCC4CCCC4
Chemical ID:
5888916
Name [?]:
2-(4-benzyl-1-piperidyl)-5-(3-cyclopentylpropanoylamino)-N-isopropyl-benzamide
SMILES [?]:
CC(C)NC(=O)c1cc(ccc1N2CCC(CC2)Cc3ccccc3)NC(=O)CCC4CCCC4
InChi [?]:
InChI=1/C30H41N3O2/c1-22(2)31-30(35)27-21-26(32-29(34)15-12-23-8-6-7-9-23)13-14-28(27)33-18-16-25(17-19-33)20-24-10-4-3-5-11-24/h3-5,10-11,13-14,21-23,25H,6-9,12,15-20H2,1-2H3,(H,31,35)(H,32,34)
InChi Info:
AuxInfo=1/1/N:1,3,23,22,24,33,34,32,35,21,25,30,10,11,29,15,17,14,18,19,8,2,31,20,16,9,7,12,27,5,4,26,13,28,6/E:(1,2)(4,5)(6,7)(8,9)(10,11)(16,17)(18,19)/rA:35nCCCNCOCCCCCCNCCCCCCCCCCCCNCOCCCCCCC/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;s31;s32;s33;s31s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H41N3O2
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:15.1007
Area:767.709
Solvation:-4.09204
Coulombic:-49.5271
Bond Count [?]
All:38
Single:30
Double:8
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:475.666
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:7.29
LogP (Chemaxon):6.0

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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