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Chemical ID: 5890286

CC1CCN(CC1)c2ccc(cc2C(=O)NC3CCCCC3)NC(=O)CC(C)C

Chemical ID:

5890286

Name [?]:

N-cyclohexyl-5-(3-methylbutanoylamino)-2-(4-methyl-1-piperidyl)-benzamide

SMILES [?]:

CC1CCN(CC1)c2ccc(cc2C(=O)NC3CCCCC3)NC(=O)CC(C)C

InChi [?]:

InChI=1/C24H37N3O2/c1-17(2)15-23(28)25-20-9-10-22(27-13-11-18(3)12-14-27)21(16-20)24(29)26-19-7-5-4-6-8-19/h9-10,16-19H,4-8,11-15H2,1-3H3,(H,25,28)(H,26,29)

InChi Info:

AuxInfo=1/1/N:28,29,1,20,19,21,18,22,10,9,3,7,4,6,26,12,27,2,17,11,13,8,24,14,23,16,5,25,15/E:(1,2)(5,6)(7,8)(11,12)(13,14)/rA:29nCCCCNCCCCCCCCCONCCCCCCNCOCCCC/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;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₃₇N₃O₂
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	12.6386
Area:	651.314
Solvation:	-3.64424
Coulombic:	-48.1183

Bond Count [?]

All:	31
Single:	26
Double:	5
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	399.57
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	5.42
LogP (Chemaxon):	4.53

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value