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Chemical ID: 5891580

CC1CCN(CC1)c2ccc(cc2C(=O)NCc3ccccc3)NC(=O)Nc4ccccc4

Chemical ID:

5891580

Name [?]:

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

SMILES [?]:

CC1CCN(CC1)c2ccc(cc2C(=O)NCc3ccccc3)NC(=O)Nc4ccccc4

InChi [?]:

InChI=1/C27H30N4O2/c1-20-14-16-31(17-15-20)25-13-12-23(30-27(33)29-22-10-6-3-7-11-22)18-24(25)26(32)28-19-21-8-4-2-5-9-21/h2-13,18,20H,14-17,19H2,1H3,(H,28,32)(H2,29,30,33)

InChi Info:

AuxInfo=1/1/N:1,21,31,20,22,30,32,19,23,29,33,10,9,3,7,4,6,12,17,2,18,28,11,13,8,14,25,16,27,24,5,15,26/E:(4,5)(6,7)(8,9)(10,11)(14,15)(16,17)/rA:33nCCCCNCCCCCCCCCONCCCCCCCNCONCCCCCC/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;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₃₀N₄O₂
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	13.5867
Area:	705.648
Solvation:	-4.0545
Coulombic:	-63.8448

Bond Count [?]

All:	36
Single:	25
Double:	11
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	442.553
H-Bond Donors:	3
H-Bond Acceptors:	6
XLogP:	5.18
LogP (Chemaxon):	5.5

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

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

Chemical Mix	Source	External ID	Descriptor	Value