Chemical ID: 5890263

CC1CCN(CC1)c2ccc(cc2C(=O)NC3CCCCC3)NC(=O)C(C)(C)CCl
Chemical ID:
5890263
Name [?]:
5-(3-chloro-2,2-dimethyl-propanoyl)amino-N-cyclohexyl-2-(4-methyl-1-piperidyl)-benzamide
SMILES [?]:
CC1CCN(CC1)c2ccc(cc2C(=O)NC3CCCCC3)NC(=O)C(C)(C)CCl
InChi [?]:
InChI=1/C24H36ClN3O2/c1-17-11-13-28(14-12-17)21-10-9-19(27-23(30)24(2,3)16-25)15-20(21)22(29)26-18-7-5-4-6-8-18/h9-10,15,17-18H,4-8,11-14,16H2,1-3H3,(H,26,29)(H,27,30)
InChi Info:
AuxInfo=1/1/N:1,27,28,20,19,21,18,22,10,9,3,7,4,6,12,29,2,17,11,13,8,14,24,26,30,16,23,5,15,25/E:(2,3)(5,6)(7,8)(11,12)(13,14)/rA:30nCCCCNCCCCCCCCCONCCCCCCNCOCCCCCl/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s10;d11;d8s12;s13;d14;s14;s16;s17;s18;s19;s20;s17s21;s11;s23;d24;s24;s26;s26;s26;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H36ClN3O2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:13.2953
Area:677.597
Solvation:-3.64467
Coulombic:-49.0194
Bond Count [?]
All:32
Single:27
Double:5
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:434.014
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:5.18
LogP (Chemaxon):5.17

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Descriptor Annotations

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