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Chemical ID: 5896126

Chemical ID:

5896126

Name [?]:

N-(3-methoxypropyl)-5-propanoylamino-2-pyrrolidin-1-yl-benzamide

SMILES [?]:

CCC(=O)Nc1ccc(c(c1)C(=O)NCCCOC)N2CCCC2

InChi [?]:

InChI=1/C18H27N3O3/c1-3-17(22)20-14-7-8-16(21-10-4-5-11-21)15(13-14)18(23)19-9-6-12-24-2/h7-8,13H,3-6,9-12H2,1-2H3,(H,19,23)(H,20,22)

InChi Info:

AuxInfo=1/1/N:1,19,2,22,23,16,7,8,15,21,24,17,11,6,10,9,3,12,14,5,20,4,13,18/E:(4,5)(10,11)/rA:24nCCCONCCCCCCCONCCCOCNCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s10;d12;s12;s14;s15;s16;s17;s18;s9;s20;s21;s22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₇N₃O₃
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	9.07388
Area:	578.02
Solvation:	-5.37663
Coulombic:	-53.5272

Bond Count [?]

All:	25
Single:	20
Double:	5
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	333.425
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	1.82
LogP (Chemaxon):	1.38

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value