2-methyl-5-(2-phenylethyl)-1,2,5-oxadiazinane-3,6-dione

C12H14N2O3 — CID 86233009

IUPAC2-methyl-5-(2-phenylethyl)-1,2,5-oxadiazinane-3,6-dione
SMILESCN1OC(=O)N(CCc2ccccc2)CC1=O
InChIInChI=1S/C12H14N2O3/c1-13-11(15)9-14(12(16)17-13)8-7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKeyRTXIWJMASLTFRP-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.05
Rot. Bonds3

About 2-methyl-5-(2-phenylethyl)-1,2,5-oxadiazinane-3,6-dione

2-methyl-5-(2-phenylethyl)-1,2,5-oxadiazinane-3,6-dione (PubChem CID 86233009) has the molecular formula C12H14N2O3 and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-methyl-5-(2-phenylethyl)-1,2,5-oxadiazinane-3,6-dione.

Molecular Properties

Compound Name2-methyl-5-(2-phenylethyl)-1,2,5-oxadiazinane-3,6-dione
PubChem CID86233009
Molecular FormulaC12H14N2O3
Molecular Weight234.26 g/mol
Exact Mass234.10
IUPAC Name2-methyl-5-(2-phenylethyl)-1,2,5-oxadiazinane-3,6-dione
SMILESCN1OC(=O)N(CCc2ccccc2)CC1=O
InChIInChI=1S/C12H14N2O3/c1-13-11(15)9-14(12(16)17-13)8-7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKeyRTXIWJMASLTFRP-UHFFFAOYSA-N
XLogP1.05
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(2-phenylethyl)-3-propan-2-ylidenepyrrolidin-2-one
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5,5-dimethyl-4-(2-phenylethyl)piperazin-2-one
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4-(2-phenylethyl)-2,5-dihydro-1H-1,4-benzodiazepin-3-one
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(3R)-4-(4-fluorobutyl)-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione
CID 165425719
(3S)-4-[(2-fluoro-3-methylphenyl)methyl]-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione
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3-[2-(4-fluorophenyl)ethyl]-4H-[1,3]oxazino[6,5-b]quinolin-2-one
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CID 165421262
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CID 71239800
(3S)-4-(cyclohexylmethyl)-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-phenylethyl)-1,2,5-oxadiazinane-3,6-dione?
The IUPAC name of 2-methyl-5-(2-phenylethyl)-1,2,5-oxadiazinane-3,6-dione (CID 86233009) is 2-methyl-5-(2-phenylethyl)-1,2,5-oxadiazinane-3,6-dione.
What is the SMILES notation for 2-methyl-5-(2-phenylethyl)-1,2,5-oxadiazinane-3,6-dione?
The canonical SMILES for 2-methyl-5-(2-phenylethyl)-1,2,5-oxadiazinane-3,6-dione is CN1OC(=O)N(CCc2ccccc2)CC1=O.
What is the InChIKey of 2-methyl-5-(2-phenylethyl)-1,2,5-oxadiazinane-3,6-dione?
The InChIKey is RTXIWJMASLTFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-13-11(15)9-14(12(16)17-13)8-7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3.
What are the key properties of 2-methyl-5-(2-phenylethyl)-1,2,5-oxadiazinane-3,6-dione?
2-methyl-5-(2-phenylethyl)-1,2,5-oxadiazinane-3,6-dione has a molecular weight of 234.26 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-phenylethyl)-1,2,5-oxadiazinane-3,6-dione is sourced from PubChem (CID 86233009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).