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

C19H22N2O4 — CID 7837478

IUPAC1-(2-methylpropyl)-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4,5-trione
SMILESCC(C)CN1C(=O)C(=O)N(CC(=O)c2ccc3c(c2)CCCC3)C1=O
InChIInChI=1S/C19H22N2O4/c1-12(2)10-20-17(23)18(24)21(19(20)25)11-16(22)15-8-7-13-5-3-4-6-14(13)9-15/h7-9,12H,3-6,10-11H2,1-2H3
InChIKeyLDUNZYLFWWTRBY-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.19
Rot. Bonds5

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

1-(2-methylpropyl)-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4,5-trione (PubChem CID 7837478) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4,5-trione
PubChem CID7837478
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name1-(2-methylpropyl)-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4,5-trione
SMILESCC(C)CN1C(=O)C(=O)N(CC(=O)c2ccc3c(c2)CCCC3)C1=O
InChIInChI=1S/C19H22N2O4/c1-12(2)10-20-17(23)18(24)21(19(20)25)11-16(22)15-8-7-13-5-3-4-6-14(13)9-15/h7-9,12H,3-6,10-11H2,1-2H3
InChIKeyLDUNZYLFWWTRBY-UHFFFAOYSA-N
XLogP2.19
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.19
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-(2-methylpropyl)-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4,5-trione (CID 7837478) is 1-(2-methylpropyl)-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(2-methylpropyl)-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-(2-methylpropyl)-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4,5-trione is CC(C)CN1C(=O)C(=O)N(CC(=O)c2ccc3c(c2)CCCC3)C1=O.
What is the InChIKey of 1-(2-methylpropyl)-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4,5-trione?
The InChIKey is LDUNZYLFWWTRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-12(2)10-20-17(23)18(24)21(19(20)25)11-16(22)15-8-7-13-5-3-4-6-14(13)9-15/h7-9,12H,3-6,10-11H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4,5-trione?
1-(2-methylpropyl)-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4,5-trione has a molecular weight of 342.40 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 7837478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).