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Chemical ID: 5564684

Chemical ID:

5564684

Name [?]:

5-isobutyl-3-[2-(2-methylphenoxy)ethyl]imidazolidine-2,4-dione

SMILES [?]:

Cc1ccccc1OCCN2C(=O)C(NC2=O)CC(C)C

InChi [?]:

InChI=1/C16H22N2O3/c1-11(2)10-13-15(19)18(16(20)17-13)8-9-21-14-7-5-4-6-12(14)3/h4-7,11,13H,8-10H2,1-3H3,(H,17,20)

InChi Info:

AuxInfo=1/1/N:20,21,1,4,5,3,6,10,9,18,19,2,14,7,12,16,15,11,13,17,8/E:(1,2)/rA:21cCCCCCCCOCCNCOCNCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;d12;s12;s14;s11s15;d16;s14;s18;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₂₂N₂O₃
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	1

ZAP Information [?]

Total:	8.75956
Area:	493.205
Solvation:	-3.57057
Coulombic:	-47.9301

Bond Count [?]

All:	22
Single:	17
Double:	5
Rotors:	6
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	290.358
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	2.74
LogP (Chemaxon):	2.71

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value