1-ethyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4,5-trione

C17H18N2O4 — CID 7824027

IUPAC1-ethyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4,5-trione
SMILESCCN1C(=O)C(=O)N(CC(=O)c2ccc3c(c2)CCCC3)C1=O
InChIInChI=1S/C17H18N2O4/c1-2-18-15(21)16(22)19(17(18)23)10-14(20)13-8-7-11-5-3-4-6-12(11)9-13/h7-9H,2-6,10H2,1H3
InChIKeyPSNQABULRYVKFN-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.56
Rot. Bonds4

About 1-ethyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4,5-trione

1-ethyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4,5-trione (PubChem CID 7824027) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 1-ethyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-ethyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4,5-trione
PubChem CID7824027
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name1-ethyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4,5-trione
SMILESCCN1C(=O)C(=O)N(CC(=O)c2ccc3c(c2)CCCC3)C1=O
InChIInChI=1S/C17H18N2O4/c1-2-18-15(21)16(22)19(17(18)23)10-14(20)13-8-7-11-5-3-4-6-12(11)9-13/h7-9H,2-6,10H2,1H3
InChIKeyPSNQABULRYVKFN-UHFFFAOYSA-N
XLogP1.56
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4,5-trione
CID 8002233
1-butyl-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
CID 7738283
2-(4-ethylpiperazin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 93191615
1-cyclohexyl-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
CID 34606806
1-ethyl-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione
CID 7549299
2-ethylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82050708
1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione
CID 91962402
1-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]-3-propylimidazolidine-2,4,5-trione
CID 8626894
2-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 116830081
1-(5,6,7,8-tetrahydronaphthalen-2-yl)nonan-1-one
CID 65449682
2-(4-acetylpiperazin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 110368694
2-(4-ethylsulfonylpiperazin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 110368725

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-ethyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4,5-trione (CID 7824027) is 1-ethyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-ethyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-ethyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4,5-trione is CCN1C(=O)C(=O)N(CC(=O)c2ccc3c(c2)CCCC3)C1=O.
What is the InChIKey of 1-ethyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4,5-trione?
The InChIKey is PSNQABULRYVKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-2-18-15(21)16(22)19(17(18)23)10-14(20)13-8-7-11-5-3-4-6-12(11)9-13/h7-9H,2-6,10H2,1H3.
What are the key properties of 1-ethyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4,5-trione?
1-ethyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4,5-trione has a molecular weight of 314.34 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 7824027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).