Chemical ID: 3947127

COc1cccc(c1)NC(=O)N2CCCC(C2)C(=O)NC3CCCCC3
Chemical ID:
3947127
Name [?]:
N'-cyclohexyl-N-(3-methoxyphenyl)-piperidine-1,3-dicarboxamide
SMILES [?]:
COc1cccc(c1)NC(=O)N2CCCC(C2)C(=O)NC3CCCCC3
InChi [?]:
InChI=1/C20H29N3O3/c1-26-18-11-5-10-17(13-18)22-20(25)23-12-6-7-15(14-23)19(24)21-16-8-3-2-4-9-16/h5,10-11,13,15-16H,2-4,6-9,12,14H2,1H3,(H,21,24)(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,24,23,25,5,14,15,22,26,6,4,13,8,17,16,21,7,3,18,10,20,9,12,19,11,2/E:(3,4)(8,9)/rA:26cCOCCCCCCNCONCCCCCCONCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;s12;s13;s14;s15;s12s16;s16;d18;s18;s20;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H29N3O3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:10.8138
Area:587.29
Solvation:-3.86841
Coulombic:-58.459
Bond Count [?]
All:28
Single:23
Double:5
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:359.463
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.51
LogP (Chemaxon):2.5

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