6-methyl-3-(3-methylphenyl)-6-phenyl-1,3-oxazinan-2-one

C18H19NO2 — CID 25183314

IUPAC6-methyl-3-(3-methylphenyl)-6-phenyl-1,3-oxazinan-2-one
SMILESCc1cccc(N2CCC(C)(c3ccccc3)OC2=O)c1
InChIInChI=1S/C18H19NO2/c1-14-7-6-10-16(13-14)19-12-11-18(2,21-17(19)20)15-8-4-3-5-9-15/h3-10,13H,11-12H2,1-2H3
InChIKeyYPCOLEPFZYAVIO-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.26
Rot. Bonds2

About 6-methyl-3-(3-methylphenyl)-6-phenyl-1,3-oxazinan-2-one

6-methyl-3-(3-methylphenyl)-6-phenyl-1,3-oxazinan-2-one (PubChem CID 25183314) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 6-methyl-3-(3-methylphenyl)-6-phenyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name6-methyl-3-(3-methylphenyl)-6-phenyl-1,3-oxazinan-2-one
PubChem CID25183314
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name6-methyl-3-(3-methylphenyl)-6-phenyl-1,3-oxazinan-2-one
SMILESCc1cccc(N2CCC(C)(c3ccccc3)OC2=O)c1
InChIInChI=1S/C18H19NO2/c1-14-7-6-10-16(13-14)19-12-11-18(2,21-17(19)20)15-8-4-3-5-9-15/h3-10,13H,11-12H2,1-2H3
InChIKeyYPCOLEPFZYAVIO-UHFFFAOYSA-N
XLogP4.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(3-methylphenyl)-6-phenyl-1,3-oxazinan-2-one?
The IUPAC name of 6-methyl-3-(3-methylphenyl)-6-phenyl-1,3-oxazinan-2-one (CID 25183314) is 6-methyl-3-(3-methylphenyl)-6-phenyl-1,3-oxazinan-2-one.
What is the SMILES notation for 6-methyl-3-(3-methylphenyl)-6-phenyl-1,3-oxazinan-2-one?
The canonical SMILES for 6-methyl-3-(3-methylphenyl)-6-phenyl-1,3-oxazinan-2-one is Cc1cccc(N2CCC(C)(c3ccccc3)OC2=O)c1.
What is the InChIKey of 6-methyl-3-(3-methylphenyl)-6-phenyl-1,3-oxazinan-2-one?
The InChIKey is YPCOLEPFZYAVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-14-7-6-10-16(13-14)19-12-11-18(2,21-17(19)20)15-8-4-3-5-9-15/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 6-methyl-3-(3-methylphenyl)-6-phenyl-1,3-oxazinan-2-one?
6-methyl-3-(3-methylphenyl)-6-phenyl-1,3-oxazinan-2-one has a molecular weight of 281.36 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(3-methylphenyl)-6-phenyl-1,3-oxazinan-2-one is sourced from PubChem (CID 25183314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).