benzyl 2,6-dimethyl-1,3-oxazinane-3-carboxylate

C14H19NO3 — CID 156517654

IUPACbenzyl 2,6-dimethyl-1,3-oxazinane-3-carboxylate
SMILESCC1CCN(C(=O)OCc2ccccc2)C(C)O1
InChIInChI=1S/C14H19NO3/c1-11-8-9-15(12(2)18-11)14(16)17-10-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3
InChIKeyXWXCTQPHTFVQHE-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.78
Rot. Bonds2

About benzyl 2,6-dimethyl-1,3-oxazinane-3-carboxylate

benzyl 2,6-dimethyl-1,3-oxazinane-3-carboxylate (PubChem CID 156517654) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is benzyl 2,6-dimethyl-1,3-oxazinane-3-carboxylate.

Molecular Properties

Compound Namebenzyl 2,6-dimethyl-1,3-oxazinane-3-carboxylate
PubChem CID156517654
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namebenzyl 2,6-dimethyl-1,3-oxazinane-3-carboxylate
SMILESCC1CCN(C(=O)OCc2ccccc2)C(C)O1
InChIInChI=1S/C14H19NO3/c1-11-8-9-15(12(2)18-11)14(16)17-10-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3
InChIKeyXWXCTQPHTFVQHE-UHFFFAOYSA-N
XLogP2.78
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzyl 2,6-dimethyl-1,3-oxazinane-3-carboxylate?
The IUPAC name of benzyl 2,6-dimethyl-1,3-oxazinane-3-carboxylate (CID 156517654) is benzyl 2,6-dimethyl-1,3-oxazinane-3-carboxylate.
What is the SMILES notation for benzyl 2,6-dimethyl-1,3-oxazinane-3-carboxylate?
The canonical SMILES for benzyl 2,6-dimethyl-1,3-oxazinane-3-carboxylate is CC1CCN(C(=O)OCc2ccccc2)C(C)O1.
What is the InChIKey of benzyl 2,6-dimethyl-1,3-oxazinane-3-carboxylate?
The InChIKey is XWXCTQPHTFVQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-11-8-9-15(12(2)18-11)14(16)17-10-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3.
What are the key properties of benzyl 2,6-dimethyl-1,3-oxazinane-3-carboxylate?
benzyl 2,6-dimethyl-1,3-oxazinane-3-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2,6-dimethyl-1,3-oxazinane-3-carboxylate is sourced from PubChem (CID 156517654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).