methyl 2-(2,6-dioxo-4-phenyl-1,3-diazinan-1-yl)benzoate

C18H16N2O4 — CID 42868328

IUPACmethyl 2-(2,6-dioxo-4-phenyl-1,3-diazinan-1-yl)benzoate
SMILESCOC(=O)c1ccccc1N1C(=O)CC(c2ccccc2)NC1=O
InChIInChI=1S/C18H16N2O4/c1-24-17(22)13-9-5-6-10-15(13)20-16(21)11-14(19-18(20)23)12-7-3-2-4-8-12/h2-10,14H,11H2,1H3,(H,19,23)
InChIKeyFBRKIZIXVIZPPN-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.66
Rot. Bonds3

About methyl 2-(2,6-dioxo-4-phenyl-1,3-diazinan-1-yl)benzoate

methyl 2-(2,6-dioxo-4-phenyl-1,3-diazinan-1-yl)benzoate (PubChem CID 42868328) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is methyl 2-(2,6-dioxo-4-phenyl-1,3-diazinan-1-yl)benzoate.

Molecular Properties

Compound Namemethyl 2-(2,6-dioxo-4-phenyl-1,3-diazinan-1-yl)benzoate
PubChem CID42868328
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Namemethyl 2-(2,6-dioxo-4-phenyl-1,3-diazinan-1-yl)benzoate
SMILESCOC(=O)c1ccccc1N1C(=O)CC(c2ccccc2)NC1=O
InChIInChI=1S/C18H16N2O4/c1-24-17(22)13-9-5-6-10-15(13)20-16(21)11-14(19-18(20)23)12-7-3-2-4-8-12/h2-10,14H,11H2,1H3,(H,19,23)
InChIKeyFBRKIZIXVIZPPN-UHFFFAOYSA-N
XLogP2.66
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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methyl 2-(azetidin-1-yl)benzoate
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methyl 2-[(1S,2S,6S,7S)-10-benzhydrylidene-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]benzoate
CID 98070856
methyl 2-[(3R)-3-methylpiperazin-1-yl]benzoate
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6-phenyl-3-propan-2-yl-1,3-diazinane-2,4-dione
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methyl 2-[4-(cyclopropylcarbamoyl)-2-oxopyrrolidin-1-yl]benzoate
CID 113189115
methyl 2-(4-phenylmethoxypiperidin-1-yl)benzoate
CID 139942928
methyl 2-(2,5-dioxo-3-propylidenepyrrolidin-1-yl)benzoate
CID 4967746
methyl 2-[(3aR,4R,7R,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydro-4,7-epoxyisoindol-2-yl]benzoate
CID 98198626
methyl 2-(4-methyl-2,3-dioxopiperazin-1-yl)benzoate
CID 117026428

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,6-dioxo-4-phenyl-1,3-diazinan-1-yl)benzoate?
The IUPAC name of methyl 2-(2,6-dioxo-4-phenyl-1,3-diazinan-1-yl)benzoate (CID 42868328) is methyl 2-(2,6-dioxo-4-phenyl-1,3-diazinan-1-yl)benzoate.
What is the SMILES notation for methyl 2-(2,6-dioxo-4-phenyl-1,3-diazinan-1-yl)benzoate?
The canonical SMILES for methyl 2-(2,6-dioxo-4-phenyl-1,3-diazinan-1-yl)benzoate is COC(=O)c1ccccc1N1C(=O)CC(c2ccccc2)NC1=O.
What is the InChIKey of methyl 2-(2,6-dioxo-4-phenyl-1,3-diazinan-1-yl)benzoate?
The InChIKey is FBRKIZIXVIZPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-24-17(22)13-9-5-6-10-15(13)20-16(21)11-14(19-18(20)23)12-7-3-2-4-8-12/h2-10,14H,11H2,1H3,(H,19,23).
What are the key properties of methyl 2-(2,6-dioxo-4-phenyl-1,3-diazinan-1-yl)benzoate?
methyl 2-(2,6-dioxo-4-phenyl-1,3-diazinan-1-yl)benzoate has a molecular weight of 324.34 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,6-dioxo-4-phenyl-1,3-diazinan-1-yl)benzoate is sourced from PubChem (CID 42868328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).