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Chemical ID: 5892211

CCOCCCNC(=O)c1cc(ccc1N2CCCCC2)NC(=O)c3ccc(c(c3)[N+](=O)[O-])C

Chemical ID:

5892211

Name [?]:

N-(3-ethoxypropyl)-5-(4-methyl-3-nitro-benzoyl)amino-2-(1-piperidyl)benzamide

SMILES [?]:

CCOCCCNC(=O)c1cc(ccc1N2CCCCC2)NC(=O)c3ccc(c(c3)[N+](=O)[O-])C

InChi [?]:

InChI=1/C25H32N4O5/c1-3-34-15-7-12-26-25(31)21-17-20(10-11-22(21)28-13-5-4-6-14-28)27-24(30)19-9-8-18(2)23(16-19)29(32)33/h8-11,16-17H,3-7,12-15H2,1-2H3,(H,26,31)(H,27,30)

InChi Info:

AuxInfo=1/1/N:1,34,2,19,18,20,5,27,26,13,14,6,17,21,4,30,11,28,25,12,10,15,29,23,8,7,22,16,31,24,9,32,33,3/E:(5,6)(13,14)(32,33)/CRV:29.5/rA:34nCCOCCCNCOCCCCCCNCCCCCNCOCCCCCCN+OO-C/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s16;s17;s18;s19;s16s20;s12;s22;d23;s23;s25;d26;s27;d28;d25s29;s29;d31;s31;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₃₂N₄O₅
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	7.98021
Area:	745.221
Solvation:	-10.6503
Coulombic:	-66.9977

Bond Count [?]

All:	36
Single:	27
Double:	9
Rotors:	12
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	468.546
H-Bond Donors:	2
H-Bond Acceptors:	9
XLogP:	4.06
LogP (Chemaxon):	3.64

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