(5R)-3-[2-(2-acetylphenoxy)ethyl]-5-propylimidazolidine-2,4-dione

C16H20N2O4 — CID 40803763

IUPAC(5R)-3-[2-(2-acetylphenoxy)ethyl]-5-propylimidazolidine-2,4-dione
SMILESCCC[C@H]1NC(=O)N(CCOc2ccccc2C(C)=O)C1=O
InChIInChI=1S/C16H20N2O4/c1-3-6-13-15(20)18(16(21)17-13)9-10-22-14-8-5-4-7-12(14)11(2)19/h4-5,7-8,13H,3,6,9-10H2,1-2H3,(H,17,21)/t13-/m1/s1
InChIKeyHTDPSDRUPXLBGJ-CYBMUJFWSA-N
MW304.35 g/mol
LogP1.99
Rot. Bonds7

About (5R)-3-[2-(2-acetylphenoxy)ethyl]-5-propylimidazolidine-2,4-dione

(5R)-3-[2-(2-acetylphenoxy)ethyl]-5-propylimidazolidine-2,4-dione (PubChem CID 40803763) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is (5R)-3-[2-(2-acetylphenoxy)ethyl]-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[2-(2-acetylphenoxy)ethyl]-5-propylimidazolidine-2,4-dione
PubChem CID40803763
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name(5R)-3-[2-(2-acetylphenoxy)ethyl]-5-propylimidazolidine-2,4-dione
SMILESCCC[C@H]1NC(=O)N(CCOc2ccccc2C(C)=O)C1=O
InChIInChI=1S/C16H20N2O4/c1-3-6-13-15(20)18(16(21)17-13)9-10-22-14-8-5-4-7-12(14)11(2)19/h4-5,7-8,13H,3,6,9-10H2,1-2H3,(H,17,21)/t13-/m1/s1
InChIKeyHTDPSDRUPXLBGJ-CYBMUJFWSA-N
XLogP1.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

1-[2-[2-(4-propylpiperidin-1-yl)ethoxy]phenyl]ethanone
CID 62204691
1-[2-[2-(3-propylpyrrolidin-1-yl)ethoxy]phenyl]ethanone
CID 115667557
1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone
CID 60965814
1-[2-(2-acetylphenoxy)ethyl]-4-methylpyrrolidin-2-one
CID 63102457
1-[2-[2-(2-butoxyethoxy)ethoxy]phenyl]ethanone
CID 43793701
1-[2-[2-(3-aminoazetidin-1-yl)ethoxy]phenyl]ethanone
CID 65250241
2-[4-(2-acetylphenoxy)butyl]isoindole-1,3-dione
CID 112788844
1-[2-(2-acetylphenoxy)ethyl]pyrimidine-2,4-dione
CID 62023562
1-[2-(2-acetylphenoxy)ethyl]pyrrolidin-2-one
CID 62019351
3-[3-(4-fluorophenyl)-3-oxopropyl]-5-propylimidazolidine-2,4-dione
CID 62023141
1-[2-(2-hexoxyethoxy)phenyl]ethanone
CID 43793758
3-[2-(2-acetylphenoxy)ethyl]-5-(4-chlorophenyl)-5-ethylimidazolidine-2,4-dione
CID 42898066

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[2-(2-acetylphenoxy)ethyl]-5-propylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[2-(2-acetylphenoxy)ethyl]-5-propylimidazolidine-2,4-dione (CID 40803763) is (5R)-3-[2-(2-acetylphenoxy)ethyl]-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[2-(2-acetylphenoxy)ethyl]-5-propylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[2-(2-acetylphenoxy)ethyl]-5-propylimidazolidine-2,4-dione is CCC[C@H]1NC(=O)N(CCOc2ccccc2C(C)=O)C1=O.
What is the InChIKey of (5R)-3-[2-(2-acetylphenoxy)ethyl]-5-propylimidazolidine-2,4-dione?
The InChIKey is HTDPSDRUPXLBGJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-3-6-13-15(20)18(16(21)17-13)9-10-22-14-8-5-4-7-12(14)11(2)19/h4-5,7-8,13H,3,6,9-10H2,1-2H3,(H,17,21)/t13-/m1/s1.
What are the key properties of (5R)-3-[2-(2-acetylphenoxy)ethyl]-5-propylimidazolidine-2,4-dione?
(5R)-3-[2-(2-acetylphenoxy)ethyl]-5-propylimidazolidine-2,4-dione has a molecular weight of 304.35 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[2-(2-acetylphenoxy)ethyl]-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 40803763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).