(6S)-6-methyl-6-(3-methylphenyl)-3-[(1S)-1-phenylethyl]-1,3-oxazinan-2-one

C20H23NO2 — CID 68726892

IUPAC(6S)-6-methyl-6-(3-methylphenyl)-3-[(1S)-1-phenylethyl]-1,3-oxazinan-2-one
SMILESCc1cccc([C@]2(C)CCN([C@@H](C)c3ccccc3)C(=O)O2)c1
InChIInChI=1S/C20H23NO2/c1-15-8-7-11-18(14-15)20(3)12-13-21(19(22)23-20)16(2)17-9-5-4-6-10-17/h4-11,14,16H,12-13H2,1-3H3/t16-,20-/m0/s1
InChIKeyQIMFMKBZKNFZQM-JXFKEZNVSA-N
MW309.41 g/mol
LogP4.81
Rot. Bonds3

About (6S)-6-methyl-6-(3-methylphenyl)-3-[(1S)-1-phenylethyl]-1,3-oxazinan-2-one

(6S)-6-methyl-6-(3-methylphenyl)-3-[(1S)-1-phenylethyl]-1,3-oxazinan-2-one (PubChem CID 68726892) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is (6S)-6-methyl-6-(3-methylphenyl)-3-[(1S)-1-phenylethyl]-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(6S)-6-methyl-6-(3-methylphenyl)-3-[(1S)-1-phenylethyl]-1,3-oxazinan-2-one
PubChem CID68726892
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name(6S)-6-methyl-6-(3-methylphenyl)-3-[(1S)-1-phenylethyl]-1,3-oxazinan-2-one
SMILESCc1cccc([C@]2(C)CCN([C@@H](C)c3ccccc3)C(=O)O2)c1
InChIInChI=1S/C20H23NO2/c1-15-8-7-11-18(14-15)20(3)12-13-21(19(22)23-20)16(2)17-9-5-4-6-10-17/h4-11,14,16H,12-13H2,1-3H3/t16-,20-/m0/s1
InChIKeyQIMFMKBZKNFZQM-JXFKEZNVSA-N
XLogP4.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-methyl-6-(3-methylphenyl)-3-[(1S)-1-phenylethyl]-1,3-oxazinan-2-one?
The IUPAC name of (6S)-6-methyl-6-(3-methylphenyl)-3-[(1S)-1-phenylethyl]-1,3-oxazinan-2-one (CID 68726892) is (6S)-6-methyl-6-(3-methylphenyl)-3-[(1S)-1-phenylethyl]-1,3-oxazinan-2-one.
What is the SMILES notation for (6S)-6-methyl-6-(3-methylphenyl)-3-[(1S)-1-phenylethyl]-1,3-oxazinan-2-one?
The canonical SMILES for (6S)-6-methyl-6-(3-methylphenyl)-3-[(1S)-1-phenylethyl]-1,3-oxazinan-2-one is Cc1cccc([C@]2(C)CCN([C@@H](C)c3ccccc3)C(=O)O2)c1.
What is the InChIKey of (6S)-6-methyl-6-(3-methylphenyl)-3-[(1S)-1-phenylethyl]-1,3-oxazinan-2-one?
The InChIKey is QIMFMKBZKNFZQM-JXFKEZNVSA-N. The full InChI is InChI=1S/C20H23NO2/c1-15-8-7-11-18(14-15)20(3)12-13-21(19(22)23-20)16(2)17-9-5-4-6-10-17/h4-11,14,16H,12-13H2,1-3H3/t16-,20-/m0/s1.
What are the key properties of (6S)-6-methyl-6-(3-methylphenyl)-3-[(1S)-1-phenylethyl]-1,3-oxazinan-2-one?
(6S)-6-methyl-6-(3-methylphenyl)-3-[(1S)-1-phenylethyl]-1,3-oxazinan-2-one has a molecular weight of 309.41 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-methyl-6-(3-methylphenyl)-3-[(1S)-1-phenylethyl]-1,3-oxazinan-2-one is sourced from PubChem (CID 68726892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).