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Chemical ID: 5891046

CC1CCN(CC1)c2ccc(cc2C(=O)NCc3ccccc3)NC(=O)C4CCCC4

Chemical ID:

5891046

Name [?]:

N-benzyl-5-cyclopentylcarbonylamino-2-(4-methyl-1-piperidyl)-benzamide

SMILES [?]:

CC1CCN(CC1)c2ccc(cc2C(=O)NCc3ccccc3)NC(=O)C4CCCC4

InChi [?]:

InChI=1/C26H33N3O2/c1-19-13-15-29(16-14-19)24-12-11-22(28-25(30)21-9-5-6-10-21)17-23(24)26(31)27-18-20-7-3-2-4-8-20/h2-4,7-8,11-12,17,19,21H,5-6,9-10,13-16,18H2,1H3,(H,27,31)(H,28,30)

InChi Info:

AuxInfo=1/1/N:1,21,20,22,29,30,19,23,28,31,10,9,3,7,4,6,12,17,2,18,27,11,13,8,25,14,16,24,5,26,15/E:(3,4)(5,6)(7,8)(9,10)(13,14)(15,16)/rA:31nCCCCNCCCCCCCCCONCCCCCCCNCOCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s10;d11;d8s12;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s11;s24;d25;s25;s27;s28;s29;s27s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₃N₃O₂
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	13.1418
Area:	679.03
Solvation:	-3.83393
Coulombic:	-49.4893

Bond Count [?]

All:	34
Single:	26
Double:	8
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	419.559
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	5.32
LogP (Chemaxon):	4.84

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value