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Chemical ID: 5845744

Chemical ID:

5845744

Name [?]:

N-(4-chlorophenyl)-N'-(3-morpholinopropyl)butanediamide

SMILES [?]:

c1cc(ccc1NC(=O)CCC(=O)NCCCN2CCOCC2)Cl

InChi [?]:

InChI=1/C17H24ClN3O3/c18-14-2-4-15(5-3-14)20-17(23)7-6-16(22)19-8-1-9-21-10-12-24-13-11-21/h2-5H,1,6-13H2,(H,19,22)(H,20,23)

InChi Info:

AuxInfo=1/1/N:16,2,4,1,5,11,10,15,17,19,23,20,22,3,6,12,8,24,14,7,18,13,9,21/E:(2,3)(4,5)(10,11)(12,13)/rA:24nCCCCCCNCOCCCONCCCNCCOCCCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;d12;s12;s14;s15;s16;s17;s18;s19;s20;s21;s18s22;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₄ClN₃O₃
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	10.5117
Area:	604.326
Solvation:	-4.59644
Coulombic:	-52.6888

Bond Count [?]

All:	25
Single:	20
Double:	5
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	353.844
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	0.87
LogP (Chemaxon):	0.75

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