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Chemical ID: 5891946

CCCNC(=O)c1cc(ccc1N2CCCCC2)NC(=O)c3cc(cc(c3)OC)OC

Chemical ID:

5891946

Name [?]:

5-(3,5-dimethoxybenzoyl)amino-2-(1-piperidyl)-N-propyl-benzamide

SMILES [?]:

CCCNC(=O)c1cc(ccc1N2CCCCC2)NC(=O)c3cc(cc(c3)OC)OC

InChi [?]:

InChI=1/C24H31N3O4/c1-4-10-25-24(29)21-15-18(8-9-22(21)27-11-6-5-7-12-27)26-23(28)17-13-19(30-2)16-20(14-17)31-3/h8-9,13-16H,4-7,10-12H2,1-3H3,(H,25,29)(H,26,28)

InChi Info:

AuxInfo=1/1/N:1,29,31,2,16,15,17,10,11,3,14,18,27,23,8,25,22,9,26,24,7,12,20,5,4,19,13,21,6,28,30/E:(2,3)(6,7)(11,12)(13,14)(19,20)(30,31)/rA:31nCCCNCOCCCCCCNCCCCCNCOCCCCCCOCOC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s12;s13;s14;s15;s16;s13s17;s9;s19;d20;s20;s22;d23;s24;d25;d22s26;s26;s28;s24;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₃₁N₃O₄
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	10.6122
Area:	678.272
Solvation:	-6.34455
Coulombic:	-61.7011

Bond Count [?]

All:	33
Single:	25
Double:	8
Rotors:	10
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	425.521
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	4.08
LogP (Chemaxon):	3.29

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