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Chemical ID: 5891845

CCC(C)NC(=O)c1cc(ccc1N2CCCCC2)NC(=O)c3c(cccc3OC)OC

Chemical ID:

5891845

Name [?]:

5-(2,6-dimethoxybenzoyl)amino-2-(1-piperidyl)-N-sec-butyl-benzamide

SMILES [?]:

CCC(C)NC(=O)c1cc(ccc1N2CCCCC2)NC(=O)c3c(cccc3OC)OC

InChi [?]:

InChI=1/C25H33N3O4/c1-5-17(2)26-24(29)19-16-18(12-13-20(19)28-14-7-6-8-15-28)27-25(30)23-21(31-3)10-9-11-22(23)32-4/h9-13,16-17H,5-8,14-15H2,1-4H3,(H,26,29)(H,27,30)

InChi Info:

AuxInfo=1/1/N:1,4,30,32,2,17,16,18,26,27,25,11,12,15,19,9,3,10,8,13,28,24,23,6,21,5,20,14,7,22,29,31/E:(3,4)(7,8)(10,11)(14,15)(21,22)(31,32)/rA:32cCCCCNCOCCCCCCNCCCCCNCOCCCCCCOCOC/rB:s1;s2;s3;s3;s5;d6;s6;s8;d9;s10;d11;d8s12;s13;s14;s15;s16;s17;s14s18;s10;s20;d21;s21;s23;d24;s25;d26;d23s27;s28;s29;s24;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₃₃N₃O₄
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	10.6449
Area:	687.639
Solvation:	-6.54609
Coulombic:	-62.7107

Bond Count [?]

All:	34
Single:	26
Double:	8
Rotors:	10
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	439.547
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	4.54
LogP (Chemaxon):	3.71

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