ethane;3,5,5-trimethyl-1-phenylimidazolidine-2,4-dione

C14H20N2O2 — CID 90723547

IUPACethane;3,5,5-trimethyl-1-phenylimidazolidine-2,4-dione
SMILESCC.CN1C(=O)N(c2ccccc2)C(C)(C)C1=O
InChIInChI=1S/C12H14N2O2.C2H6/c1-12(2)10(15)13(3)11(16)14(12)9-7-5-4-6-8-9;1-2/h4-8H,1-3H3;1-2H3
InChIKeyNZNQVICSLSXILE-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.89
Rot. Bonds1

About ethane;3,5,5-trimethyl-1-phenylimidazolidine-2,4-dione

ethane;3,5,5-trimethyl-1-phenylimidazolidine-2,4-dione (PubChem CID 90723547) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is ethane;3,5,5-trimethyl-1-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Nameethane;3,5,5-trimethyl-1-phenylimidazolidine-2,4-dione
PubChem CID90723547
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Nameethane;3,5,5-trimethyl-1-phenylimidazolidine-2,4-dione
SMILESCC.CN1C(=O)N(c2ccccc2)C(C)(C)C1=O
InChIInChI=1S/C12H14N2O2.C2H6/c1-12(2)10(15)13(3)11(16)14(12)9-7-5-4-6-8-9;1-2/h4-8H,1-3H3;1-2H3
InChIKeyNZNQVICSLSXILE-UHFFFAOYSA-N
XLogP2.89
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3,3,4-tetramethylquinoxalin-2-one
CID 121015533
4-(hydroxyamino)-1,4,5,5-tetramethyl-3-phenylimidazolidin-2-one
CID 5084184
(3R,4R)-3-methyl-1,3,4-triphenyl-4-sulfanylazetidin-2-one
CID 102253073
3,3,4-trimethyl-1-phenylpiperazin-2-one
CID 146646234
ethane;3-methyl-1-phenylimidazolidine-2,4-dione
CID 145288256
benzene;2,6-dimethyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone;ethane
CID 90917596
1-methoxy-3-methyl-5,5-diphenyl-1,3-diazinane-2,4,6-trione
CID 161316865
1-acetyl-2-methyl-4-oxo-3-phenyl-1,3-diazetidine-2-carbaldehyde
CID 12957808
(4R)-1-[(2R)-butan-2-yl]-4-hydroxy-4,6,6-trimethyl-3-phenyl-1,3-diazinan-2-one
CID 909123
1,1,2,2-tetramethyl-2'-phenylspiro[cyclopropane-3,3'-isoindole]-1'-one
CID 144897023
phenyl 2-oxo-2-(1,3,5-trimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)acetate
CID 166696613
(1S,6R)-2,4,6-trimethyl-7,7-diphenyl-8-oxa-2,4-diazabicyclo[4.2.0]octane-3,5-dione
CID 102466386

Frequently Asked Questions

What is the IUPAC name of ethane;3,5,5-trimethyl-1-phenylimidazolidine-2,4-dione?
The IUPAC name of ethane;3,5,5-trimethyl-1-phenylimidazolidine-2,4-dione (CID 90723547) is ethane;3,5,5-trimethyl-1-phenylimidazolidine-2,4-dione.
What is the SMILES notation for ethane;3,5,5-trimethyl-1-phenylimidazolidine-2,4-dione?
The canonical SMILES for ethane;3,5,5-trimethyl-1-phenylimidazolidine-2,4-dione is CC.CN1C(=O)N(c2ccccc2)C(C)(C)C1=O.
What is the InChIKey of ethane;3,5,5-trimethyl-1-phenylimidazolidine-2,4-dione?
The InChIKey is NZNQVICSLSXILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2.C2H6/c1-12(2)10(15)13(3)11(16)14(12)9-7-5-4-6-8-9;1-2/h4-8H,1-3H3;1-2H3.
What are the key properties of ethane;3,5,5-trimethyl-1-phenylimidazolidine-2,4-dione?
ethane;3,5,5-trimethyl-1-phenylimidazolidine-2,4-dione has a molecular weight of 248.33 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3,5,5-trimethyl-1-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 90723547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).