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

C16H16N2O4 — CID 8002233

IUPAC1-methyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4,5-trione
SMILESCN1C(=O)C(=O)N(CC(=O)c2ccc3c(c2)CCCC3)C1=O
InChIInChI=1S/C16H16N2O4/c1-17-14(20)15(21)18(16(17)22)9-13(19)12-7-6-10-4-2-3-5-11(10)8-12/h6-8H,2-5,9H2,1H3
InChIKeyBUOQXIMIVLVHBX-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.17
Rot. Bonds3

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

1-methyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4,5-trione (PubChem CID 8002233) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 1-methyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-methyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4,5-trione
PubChem CID8002233
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name1-methyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4,5-trione
SMILESCN1C(=O)C(=O)N(CC(=O)c2ccc3c(c2)CCCC3)C1=O
InChIInChI=1S/C16H16N2O4/c1-17-14(20)15(21)18(16(17)22)9-13(19)12-7-6-10-4-2-3-5-11(10)8-12/h6-8H,2-5,9H2,1H3
InChIKeyBUOQXIMIVLVHBX-UHFFFAOYSA-N
XLogP1.17
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.17
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-methyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-methyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4,5-trione (CID 8002233) is 1-methyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-methyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-methyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4,5-trione is CN1C(=O)C(=O)N(CC(=O)c2ccc3c(c2)CCCC3)C1=O.
What is the InChIKey of 1-methyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4,5-trione?
The InChIKey is BUOQXIMIVLVHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-17-14(20)15(21)18(16(17)22)9-13(19)12-7-6-10-4-2-3-5-11(10)8-12/h6-8H,2-5,9H2,1H3.
What are the key properties of 1-methyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4,5-trione?
1-methyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4,5-trione has a molecular weight of 300.31 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 8002233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).