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Chemical ID: 5895638

CC1CCN(CC1)c2ccc(cc2C(=O)NCCc3ccccc3)NC(=O)C4CCC4

Chemical ID:

5895638

Name [?]:

5-cyclobutylcarbonylamino-2-(4-methyl-1-piperidyl)-N-phenethyl-benzamide

SMILES [?]:

CC1CCN(CC1)c2ccc(cc2C(=O)NCCc3ccccc3)NC(=O)C4CCC4

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,22,21,23,30,20,24,29,31,10,9,18,3,7,17,4,6,12,2,19,28,11,13,8,26,14,16,25,5,27,15/E:(3,4)(6,7)(8,9)(13,14)(16,17)/rA:31nCCCCNCCCCCCCCCONCCCCCCCCNCOCCCC/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s10;d11;d8s12;s13;d14;s14;s16;s17;s18;s19;d20;s21;d22;d19s23;s11;s25;d26;s26;s28;s29;s28s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	13.1066
Area:	687.368
Solvation:	-4.07764
Coulombic:	-49.0422

Bond Count [?]

All:	34
Single:	26
Double:	8
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	419.559
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	4.9
LogP (Chemaxon):	4.7

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