methyl 1-(2-methoxyethyl)-6-methyl-2-oxo-4-(2-phenylethyl)-1,3-diazinane-5-carboxylate

C18H26N2O4 — CID 73324816

IUPACmethyl 1-(2-methoxyethyl)-6-methyl-2-oxo-4-(2-phenylethyl)-1,3-diazinane-5-carboxylate
SMILESCOCCN1C(=O)NC(CCc2ccccc2)C(C(=O)OC)C1C
InChIInChI=1S/C18H26N2O4/c1-13-16(17(21)24-3)15(10-9-14-7-5-4-6-8-14)19-18(22)20(13)11-12-23-2/h4-8,13,15-16H,9-12H2,1-3H3,(H,19,22)
InChIKeyRJZZSCSWVGZKRO-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.84
Rot. Bonds7

About methyl 1-(2-methoxyethyl)-6-methyl-2-oxo-4-(2-phenylethyl)-1,3-diazinane-5-carboxylate

methyl 1-(2-methoxyethyl)-6-methyl-2-oxo-4-(2-phenylethyl)-1,3-diazinane-5-carboxylate (PubChem CID 73324816) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is methyl 1-(2-methoxyethyl)-6-methyl-2-oxo-4-(2-phenylethyl)-1,3-diazinane-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methoxyethyl)-6-methyl-2-oxo-4-(2-phenylethyl)-1,3-diazinane-5-carboxylate
PubChem CID73324816
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Namemethyl 1-(2-methoxyethyl)-6-methyl-2-oxo-4-(2-phenylethyl)-1,3-diazinane-5-carboxylate
SMILESCOCCN1C(=O)NC(CCc2ccccc2)C(C(=O)OC)C1C
InChIInChI=1S/C18H26N2O4/c1-13-16(17(21)24-3)15(10-9-14-7-5-4-6-8-14)19-18(22)20(13)11-12-23-2/h4-8,13,15-16H,9-12H2,1-3H3,(H,19,22)
InChIKeyRJZZSCSWVGZKRO-UHFFFAOYSA-N
XLogP1.84
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 1-(2-methoxyethyl)-6-methyl-2-oxo-4-(2-phenylethyl)-1,3-diazinane-5-carboxylate with MolForge

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Related Compounds

methyl 6-methyl-2-oxo-4-phenyl-1-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-diazinane-5-carboxylate
CID 73324804
methyl 4-hydroxy-2-oxo-5-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 70987709
(4R,5R)-1-benzyl-4-(2-hydroxyethyl)-5-methylimidazolidin-2-one
CID 24787335
methyl 1-(2-ethoxy-2-oxoethyl)-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate
CID 73324817
(4R,5R,6R)-1-benzyl-5-hydroxy-4,6-bis(2-phenylethyl)-1,3-diazinan-2-one
CID 101209098
dimethyl (2R,3S,4R,5R)-2-benzylsulfanylcarbonyl-5-(2-phenylethyl)pyrrolidine-3,4-dicarboxylate
CID 101405239
methyl (1R,3R,3aR,6aS)-4,6-dioxo-1-(2-phenylethyl)-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylate
CID 134949680
(3R,4S)-3-methyl-4-(2-phenylethyl)azetidin-2-one
CID 10559556
5-acetyl-1-(2-methoxyethyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one
CID 73324818
2-methoxyethylbenzene
CID 19089
(3aR,7aR)-4-(2-methoxyethyl)-1-(3-phenylpropanoyl)-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one
CID 97460746
5-acetyl-1-benzyl-6-methyl-4-phenyl-1,3-diazinan-2-one
CID 73324809

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-methoxyethyl)-6-methyl-2-oxo-4-(2-phenylethyl)-1,3-diazinane-5-carboxylate?
The IUPAC name of methyl 1-(2-methoxyethyl)-6-methyl-2-oxo-4-(2-phenylethyl)-1,3-diazinane-5-carboxylate (CID 73324816) is methyl 1-(2-methoxyethyl)-6-methyl-2-oxo-4-(2-phenylethyl)-1,3-diazinane-5-carboxylate.
What is the SMILES notation for methyl 1-(2-methoxyethyl)-6-methyl-2-oxo-4-(2-phenylethyl)-1,3-diazinane-5-carboxylate?
The canonical SMILES for methyl 1-(2-methoxyethyl)-6-methyl-2-oxo-4-(2-phenylethyl)-1,3-diazinane-5-carboxylate is COCCN1C(=O)NC(CCc2ccccc2)C(C(=O)OC)C1C.
What is the InChIKey of methyl 1-(2-methoxyethyl)-6-methyl-2-oxo-4-(2-phenylethyl)-1,3-diazinane-5-carboxylate?
The InChIKey is RJZZSCSWVGZKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-13-16(17(21)24-3)15(10-9-14-7-5-4-6-8-14)19-18(22)20(13)11-12-23-2/h4-8,13,15-16H,9-12H2,1-3H3,(H,19,22).
What are the key properties of methyl 1-(2-methoxyethyl)-6-methyl-2-oxo-4-(2-phenylethyl)-1,3-diazinane-5-carboxylate?
methyl 1-(2-methoxyethyl)-6-methyl-2-oxo-4-(2-phenylethyl)-1,3-diazinane-5-carboxylate has a molecular weight of 334.42 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-methoxyethyl)-6-methyl-2-oxo-4-(2-phenylethyl)-1,3-diazinane-5-carboxylate is sourced from PubChem (CID 73324816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).