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

C30H36N2O4 — CID 59635676

IUPAC(6S)-6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-(2-oxo-1-propan-2-yl-4-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
SMILESCC(C)n1ccc(-c2ccc([C@H](C)N3CC[C@](CC(C)(C)O)(c4ccccc4)OC3=O)cc2)cc1=O
InChIInChI=1S/C30H36N2O4/c1-21(2)31-17-15-25(19-27(31)33)24-13-11-23(12-14-24)22(3)32-18-16-30(36-28(32)34,20-29(4,5)35)26-9-7-6-8-10-26/h6-15,17,19,21-22,35H,16,18,20H2,1-5H3/t22-,30-/m0/s1
InChIKeyWILRFGPGSCIZNX-CHJDUVSTSA-N
MW488.63 g/mol
LogP6.06
Rot. Bonds7

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

(6S)-6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-(2-oxo-1-propan-2-yl-4-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one (PubChem CID 59635676) has the molecular formula C30H36N2O4 and a molecular weight of 488.63 g/mol. Its IUPAC name is (6S)-6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-(2-oxo-1-propan-2-yl-4-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(6S)-6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-(2-oxo-1-propan-2-yl-4-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
PubChem CID59635676
Molecular FormulaC30H36N2O4
Molecular Weight488.63 g/mol
Exact Mass488.27
IUPAC Name(6S)-6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-(2-oxo-1-propan-2-yl-4-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
SMILESCC(C)n1ccc(-c2ccc([C@H](C)N3CC[C@](CC(C)(C)O)(c4ccccc4)OC3=O)cc2)cc1=O
InChIInChI=1S/C30H36N2O4/c1-21(2)31-17-15-25(19-27(31)33)24-13-11-23(12-14-24)22(3)32-18-16-30(36-28(32)34,20-29(4,5)35)26-9-7-6-8-10-26/h6-15,17,19,21-22,35H,16,18,20H2,1-5H3/t22-,30-/m0/s1
InChIKeyWILRFGPGSCIZNX-CHJDUVSTSA-N
XLogP6.06
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.63
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6S)-6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-(2-oxo-1-propan-2-yl-4-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-(2-oxo-1-propan-2-yl-4-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one?
The IUPAC name of (6S)-6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-(2-oxo-1-propan-2-yl-4-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one (CID 59635676) is (6S)-6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-(2-oxo-1-propan-2-yl-4-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one.
What is the SMILES notation for (6S)-6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-(2-oxo-1-propan-2-yl-4-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one?
The canonical SMILES for (6S)-6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-(2-oxo-1-propan-2-yl-4-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one is CC(C)n1ccc(-c2ccc([C@H](C)N3CC[C@](CC(C)(C)O)(c4ccccc4)OC3=O)cc2)cc1=O.
What is the InChIKey of (6S)-6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-(2-oxo-1-propan-2-yl-4-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one?
The InChIKey is WILRFGPGSCIZNX-CHJDUVSTSA-N. The full InChI is InChI=1S/C30H36N2O4/c1-21(2)31-17-15-25(19-27(31)33)24-13-11-23(12-14-24)22(3)32-18-16-30(36-28(32)34,20-29(4,5)35)26-9-7-6-8-10-26/h6-15,17,19,21-22,35H,16,18,20H2,1-5H3/t22-,30-/m0/s1.
What are the key properties of (6S)-6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-(2-oxo-1-propan-2-yl-4-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one?
(6S)-6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-(2-oxo-1-propan-2-yl-4-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one has a molecular weight of 488.63 g/mol, XLogP of 6.06, 7 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)-3-[(1S)-1-[4-(2-oxo-1-propan-2-yl-4-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one is sourced from PubChem (CID 59635676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).