(6R)-3-[(1S)-1-[3-(2-hydroxy-2-methylpropoxy)phenyl]ethyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one

C23H29NO4 — CID 68725051

IUPAC(6R)-3-[(1S)-1-[3-(2-hydroxy-2-methylpropoxy)phenyl]ethyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one
SMILESC[C@@H](c1cccc(OCC(C)(C)O)c1)N1CC[C@](C)(c2ccccc2)OC1=O
InChIInChI=1S/C23H29NO4/c1-17(18-9-8-12-20(15-18)27-16-22(2,3)26)24-14-13-23(4,28-21(24)25)19-10-6-5-7-11-19/h5-12,15,17,26H,13-14,16H2,1-4H3/t17-,23+/m0/s1
InChIKeyMBTNCMMQLDRCFF-GAJHUEQPSA-N
MW383.49 g/mol
LogP4.66
Rot. Bonds6

About (6R)-3-[(1S)-1-[3-(2-hydroxy-2-methylpropoxy)phenyl]ethyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one

(6R)-3-[(1S)-1-[3-(2-hydroxy-2-methylpropoxy)phenyl]ethyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one (PubChem CID 68725051) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is (6R)-3-[(1S)-1-[3-(2-hydroxy-2-methylpropoxy)phenyl]ethyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(6R)-3-[(1S)-1-[3-(2-hydroxy-2-methylpropoxy)phenyl]ethyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one
PubChem CID68725051
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Name(6R)-3-[(1S)-1-[3-(2-hydroxy-2-methylpropoxy)phenyl]ethyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one
SMILESC[C@@H](c1cccc(OCC(C)(C)O)c1)N1CC[C@](C)(c2ccccc2)OC1=O
InChIInChI=1S/C23H29NO4/c1-17(18-9-8-12-20(15-18)27-16-22(2,3)26)24-14-13-23(4,28-21(24)25)19-10-6-5-7-11-19/h5-12,15,17,26H,13-14,16H2,1-4H3/t17-,23+/m0/s1
InChIKeyMBTNCMMQLDRCFF-GAJHUEQPSA-N
XLogP4.66
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6R)-3-[(1S)-1-[3-(2-hydroxy-2-methylpropoxy)phenyl]ethyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one?
The IUPAC name of (6R)-3-[(1S)-1-[3-(2-hydroxy-2-methylpropoxy)phenyl]ethyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one (CID 68725051) is (6R)-3-[(1S)-1-[3-(2-hydroxy-2-methylpropoxy)phenyl]ethyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one.
What is the SMILES notation for (6R)-3-[(1S)-1-[3-(2-hydroxy-2-methylpropoxy)phenyl]ethyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one?
The canonical SMILES for (6R)-3-[(1S)-1-[3-(2-hydroxy-2-methylpropoxy)phenyl]ethyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one is C[C@@H](c1cccc(OCC(C)(C)O)c1)N1CC[C@](C)(c2ccccc2)OC1=O.
What is the InChIKey of (6R)-3-[(1S)-1-[3-(2-hydroxy-2-methylpropoxy)phenyl]ethyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one?
The InChIKey is MBTNCMMQLDRCFF-GAJHUEQPSA-N. The full InChI is InChI=1S/C23H29NO4/c1-17(18-9-8-12-20(15-18)27-16-22(2,3)26)24-14-13-23(4,28-21(24)25)19-10-6-5-7-11-19/h5-12,15,17,26H,13-14,16H2,1-4H3/t17-,23+/m0/s1.
What are the key properties of (6R)-3-[(1S)-1-[3-(2-hydroxy-2-methylpropoxy)phenyl]ethyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one?
(6R)-3-[(1S)-1-[3-(2-hydroxy-2-methylpropoxy)phenyl]ethyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one has a molecular weight of 383.49 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-[(1S)-1-[3-(2-hydroxy-2-methylpropoxy)phenyl]ethyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one is sourced from PubChem (CID 68725051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).