(6S)-6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[(1S)-1-[4-(1,2,3-trimethyl-6-oxo-4-pyridinyl)phenyl]ethyl]-1,3-oxazinan-2-one

C30H36N2O4 — CID 42605722

About (6S)-6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[(1S)-1-[4-(1,2,3-trimethyl-6-oxo-4-pyridinyl)phenyl]ethyl]-1,3-oxazinan-2-one

(6S)-6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[(1S)-1-[4-(1,2,3-trimethyl-6-oxo-4-pyridinyl)phenyl]ethyl]-1,3-oxazinan-2-one (PubChem CID 42605722) has the molecular formula C30H36N2O4 and a molecular weight of 488.63 g/mol. Its IUPAC name is (6S)-6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[(1S)-1-[4-(1,2,3-trimethyl-6-oxo-4-pyridinyl)phenyl]ethyl]-1,3-oxazinan-2-one.

Molecular Properties

• Compound Name: (6S)-6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[(1S)-1-[4-(1,2,3-trimethyl-6-oxo-4-pyridinyl)phenyl]ethyl]-1,3-oxazinan-2-one
• PubChem CID: 42605722
• Molecular Formula: C30H36N2O4
• Molecular Weight: 488.63 g/mol
• Exact Mass: 488.27
• IUPAC Name: (6S)-6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[(1S)-1-[4-(1,2,3-trimethyl-6-oxo-4-pyridinyl)phenyl]ethyl]-1,3-oxazinan-2-one
• SMILES: Cc1c(-c2ccc([C@H](C)N3CC[C@](CC(C)(C)O)(c4ccccc4)OC3=O)cc2)cc(=O)n(C)c1C
• InChI: InChI=1S/C30H36N2O4/c1-20-21(2)31(6)27(33)18-26(20)24-14-12-23(13-15-24)22(3)32-17-16-30(36-28(32)34,19-29(4,5)35)25-10-8-7-9-11-25/h7-15,18,22,35H,16-17,19H2,1-6H3/t22-,30-/m0/s1
• InChIKey: QMVAUZSATZVCOJ-CHJDUVSTSA-N
• XLogP: 5.63
• TPSA: 71.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.63
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[(1S)-1-[4-(1,2,3-trimethyl-6-oxo-4-pyridinyl)phenyl]ethyl]-1,3-oxazinan-2-one?

The IUPAC name of (6S)-6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[(1S)-1-[4-(1,2,3-trimethyl-6-oxo-4-pyridinyl)phenyl]ethyl]-1,3-oxazinan-2-one (CID 42605722) is (6S)-6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[(1S)-1-[4-(1,2,3-trimethyl-6-oxo-4-pyridinyl)phenyl]ethyl]-1,3-oxazinan-2-one.

What is the SMILES notation for (6S)-6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[(1S)-1-[4-(1,2,3-trimethyl-6-oxo-4-pyridinyl)phenyl]ethyl]-1,3-oxazinan-2-one?

The canonical SMILES for (6S)-6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[(1S)-1-[4-(1,2,3-trimethyl-6-oxo-4-pyridinyl)phenyl]ethyl]-1,3-oxazinan-2-one is Cc1c(-c2ccc([C@H](C)N3CC[C@](CC(C)(C)O)(c4ccccc4)OC3=O)cc2)cc(=O)n(C)c1C.

What is the InChIKey of (6S)-6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[(1S)-1-[4-(1,2,3-trimethyl-6-oxo-4-pyridinyl)phenyl]ethyl]-1,3-oxazinan-2-one?

The InChIKey is QMVAUZSATZVCOJ-CHJDUVSTSA-N. The full InChI is InChI=1S/C30H36N2O4/c1-20-21(2)31(6)27(33)18-26(20)24-14-12-23(13-15-24)22(3)32-17-16-30(36-28(32)34,19-29(4,5)35)25-10-8-7-9-11-25/h7-15,18,22,35H,16-17,19H2,1-6H3/t22-,30-/m0/s1.

What are the key properties of (6S)-6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[(1S)-1-[4-(1,2,3-trimethyl-6-oxo-4-pyridinyl)phenyl]ethyl]-1,3-oxazinan-2-one?

(6S)-6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[(1S)-1-[4-(1,2,3-trimethyl-6-oxo-4-pyridinyl)phenyl]ethyl]-1,3-oxazinan-2-one has a molecular weight of 488.63 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[(1S)-1-[4-(1,2,3-trimethyl-6-oxo-4-pyridinyl)phenyl]ethyl]-1,3-oxazinan-2-one is sourced from PubChem (CID 42605722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).