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Chemical ID: 4235648

Chemical ID:

4235648

Name [?]:

2-(4-bromo-3,5-dimethyl-phenoxy)-N-(3-morpholinopropyl)acetamide

SMILES [?]:

Cc1cc(cc(c1Br)C)OCC(=O)NCCCN2CCOCC2

InChi [?]:

InChI=1/C17H25BrN2O3/c1-13-10-15(11-14(2)17(13)18)23-12-16(21)19-4-3-5-20-6-8-22-9-7-20/h10-11H,3-9,12H2,1-2H3,(H,19,21)

InChi Info:

AuxInfo=1/1/N:1,9,16,15,17,19,23,20,22,3,5,11,2,6,4,12,7,8,14,18,13,21,10/E:(1,2)(6,7)(8,9)(10,11)(13,14)/rA:23nCCCCCCCBrCOCCONCCCNCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s4;s10;s11;d12;s12;s14;s15;s16;s17;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₅BrN₂O₃
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	8.8812
Area:	574.611
Solvation:	-5.48407
Coulombic:	-40.9696

Bond Count [?]

All:	24
Single:	20
Double:	4
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	385.296
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	2.17
LogP (Chemaxon):	2.13

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