benzyl 1,3,5-trimethyl-2,6-dioxo-1,3-diazinane-4-carboxylate

C15H18N2O4 — CID 156547897

IUPACbenzyl 1,3,5-trimethyl-2,6-dioxo-1,3-diazinane-4-carboxylate
SMILESCC1C(=O)N(C)C(=O)N(C)C1C(=O)OCc1ccccc1
InChIInChI=1S/C15H18N2O4/c1-10-12(16(2)15(20)17(3)13(10)18)14(19)21-9-11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3
InChIKeyRHSCKTJJYBCRQC-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.26
Rot. Bonds3

About benzyl 1,3,5-trimethyl-2,6-dioxo-1,3-diazinane-4-carboxylate

benzyl 1,3,5-trimethyl-2,6-dioxo-1,3-diazinane-4-carboxylate (PubChem CID 156547897) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is benzyl 1,3,5-trimethyl-2,6-dioxo-1,3-diazinane-4-carboxylate.

Molecular Properties

Compound Namebenzyl 1,3,5-trimethyl-2,6-dioxo-1,3-diazinane-4-carboxylate
PubChem CID156547897
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Namebenzyl 1,3,5-trimethyl-2,6-dioxo-1,3-diazinane-4-carboxylate
SMILESCC1C(=O)N(C)C(=O)N(C)C1C(=O)OCc1ccccc1
InChIInChI=1S/C15H18N2O4/c1-10-12(16(2)15(20)17(3)13(10)18)14(19)21-9-11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3
InChIKeyRHSCKTJJYBCRQC-UHFFFAOYSA-N
XLogP1.26
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 10633400
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benzyl 1,3,6-trimethyl-2-oxo-4-phenyl-4H-pyrimidine-5-carboxylate
CID 2794054
benzyl (5S)-3-methyl-2-oxo-1,3-oxazolidine-5-carboxylate
CID 14443169
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CID 169070000
2-O-benzyl 1-O-tert-butyl (2S,3R)-3-methylaziridine-1,2-dicarboxylate
CID 10637321
4-O-benzyl 3-O-tert-butyl (4S,5R)-5-methyl-2-oxo-1,3-oxazolidine-3,4-dicarboxylate
CID 10806707
benzyl 2-oxooxetane-3-carboxylate
CID 102128365
dibenzyl 7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2,3-dicarboxylate
CID 22748566
benzyl 2,5-dioxocyclopentane-1-carboxylate
CID 59459130
dibenzyl (3S,6R)-8-methyl-2-oxo-7-oxa-1,4-diazatricyclo[4.3.1.03,10]decane-4,9-dicarboxylate
CID 57310710
benzyl (2S,5R,6R)-3,3,6-trimethyl-4,4,7-trioxo-4λ6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CID 70512655

Frequently Asked Questions

What is the IUPAC name of benzyl 1,3,5-trimethyl-2,6-dioxo-1,3-diazinane-4-carboxylate?
The IUPAC name of benzyl 1,3,5-trimethyl-2,6-dioxo-1,3-diazinane-4-carboxylate (CID 156547897) is benzyl 1,3,5-trimethyl-2,6-dioxo-1,3-diazinane-4-carboxylate.
What is the SMILES notation for benzyl 1,3,5-trimethyl-2,6-dioxo-1,3-diazinane-4-carboxylate?
The canonical SMILES for benzyl 1,3,5-trimethyl-2,6-dioxo-1,3-diazinane-4-carboxylate is CC1C(=O)N(C)C(=O)N(C)C1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 1,3,5-trimethyl-2,6-dioxo-1,3-diazinane-4-carboxylate?
The InChIKey is RHSCKTJJYBCRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-10-12(16(2)15(20)17(3)13(10)18)14(19)21-9-11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3.
What are the key properties of benzyl 1,3,5-trimethyl-2,6-dioxo-1,3-diazinane-4-carboxylate?
benzyl 1,3,5-trimethyl-2,6-dioxo-1,3-diazinane-4-carboxylate has a molecular weight of 290.32 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 1,3,5-trimethyl-2,6-dioxo-1,3-diazinane-4-carboxylate is sourced from PubChem (CID 156547897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).