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

C23H21NO2 — CID 25183175

IUPAC6-methyl-6-phenyl-3-(3-phenylphenyl)-1,3-oxazinan-2-one
SMILESCC1(c2ccccc2)CCN(c2cccc(-c3ccccc3)c2)C(=O)O1
InChIInChI=1S/C23H21NO2/c1-23(20-12-6-3-7-13-20)15-16-24(22(25)26-23)21-14-8-11-19(17-21)18-9-4-2-5-10-18/h2-14,17H,15-16H2,1H3
InChIKeyPMNFSAGLIMRJAD-UHFFFAOYSA-N
MW343.43 g/mol
LogP5.62
Rot. Bonds3

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

6-methyl-6-phenyl-3-(3-phenylphenyl)-1,3-oxazinan-2-one (PubChem CID 25183175) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 6-methyl-6-phenyl-3-(3-phenylphenyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name6-methyl-6-phenyl-3-(3-phenylphenyl)-1,3-oxazinan-2-one
PubChem CID25183175
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Name6-methyl-6-phenyl-3-(3-phenylphenyl)-1,3-oxazinan-2-one
SMILESCC1(c2ccccc2)CCN(c2cccc(-c3ccccc3)c2)C(=O)O1
InChIInChI=1S/C23H21NO2/c1-23(20-12-6-3-7-13-20)15-16-24(22(25)26-23)21-14-8-11-19(17-21)18-9-4-2-5-10-18/h2-14,17H,15-16H2,1H3
InChIKeyPMNFSAGLIMRJAD-UHFFFAOYSA-N
XLogP5.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-6-phenyl-3-(3-phenylphenyl)-1,3-oxazinan-2-one?
The IUPAC name of 6-methyl-6-phenyl-3-(3-phenylphenyl)-1,3-oxazinan-2-one (CID 25183175) is 6-methyl-6-phenyl-3-(3-phenylphenyl)-1,3-oxazinan-2-one.
What is the SMILES notation for 6-methyl-6-phenyl-3-(3-phenylphenyl)-1,3-oxazinan-2-one?
The canonical SMILES for 6-methyl-6-phenyl-3-(3-phenylphenyl)-1,3-oxazinan-2-one is CC1(c2ccccc2)CCN(c2cccc(-c3ccccc3)c2)C(=O)O1.
What is the InChIKey of 6-methyl-6-phenyl-3-(3-phenylphenyl)-1,3-oxazinan-2-one?
The InChIKey is PMNFSAGLIMRJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2/c1-23(20-12-6-3-7-13-20)15-16-24(22(25)26-23)21-14-8-11-19(17-21)18-9-4-2-5-10-18/h2-14,17H,15-16H2,1H3.
What are the key properties of 6-methyl-6-phenyl-3-(3-phenylphenyl)-1,3-oxazinan-2-one?
6-methyl-6-phenyl-3-(3-phenylphenyl)-1,3-oxazinan-2-one has a molecular weight of 343.43 g/mol, XLogP of 5.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6-phenyl-3-(3-phenylphenyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 25183175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).