dimethyl (3R,6R)-2,6-diphenyl-3-propan-2-yloxazinane-4,4-dicarboxylate

C23H27NO5 — CID 10069389

IUPACdimethyl (3R,6R)-2,6-diphenyl-3-propan-2-yloxazinane-4,4-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)C[C@H](c2ccccc2)ON(c2ccccc2)[C@@H]1C(C)C
InChIInChI=1S/C23H27NO5/c1-16(2)20-23(21(25)27-3,22(26)28-4)15-19(17-11-7-5-8-12-17)29-24(20)18-13-9-6-10-14-18/h5-14,16,19-20H,15H2,1-4H3/t19-,20-/m1/s1
InChIKeyRFNPSAIXZSOVHW-WOJBJXKFSA-N
MW397.47 g/mol
LogP3.93
Rot. Bonds5

About dimethyl (3R,6R)-2,6-diphenyl-3-propan-2-yloxazinane-4,4-dicarboxylate

dimethyl (3R,6R)-2,6-diphenyl-3-propan-2-yloxazinane-4,4-dicarboxylate (PubChem CID 10069389) has the molecular formula C23H27NO5 and a molecular weight of 397.47 g/mol. Its IUPAC name is dimethyl (3R,6R)-2,6-diphenyl-3-propan-2-yloxazinane-4,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl (3R,6R)-2,6-diphenyl-3-propan-2-yloxazinane-4,4-dicarboxylate
PubChem CID10069389
Molecular FormulaC23H27NO5
Molecular Weight397.47 g/mol
Exact Mass397.19
IUPAC Namedimethyl (3R,6R)-2,6-diphenyl-3-propan-2-yloxazinane-4,4-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)C[C@H](c2ccccc2)ON(c2ccccc2)[C@@H]1C(C)C
InChIInChI=1S/C23H27NO5/c1-16(2)20-23(21(25)27-3,22(26)28-4)15-19(17-11-7-5-8-12-17)29-24(20)18-13-9-6-10-14-18/h5-14,16,19-20H,15H2,1-4H3/t19-,20-/m1/s1
InChIKeyRFNPSAIXZSOVHW-WOJBJXKFSA-N
XLogP3.93
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

dimethyl (3S,6S)-2,3-diphenyl-6-(1,1,1-trifluoro-3-methylbut-2-en-2-yl)oxazinane-4,4-dicarboxylate
CID 168304057
dimethyl (3R,6R)-2,3,6-triphenyloxazinane-4,4-dicarboxylate
CID 9980174
dimethyl (3R,6R)-3-(2-methylprop-1-enyl)-2-phenyl-6-[(E)-2-phenylethenyl]oxazinane-4,4-dicarboxylate
CID 9980419
dimethyl (3R,6R)-2-methyl-3-phenyl-6-[(E)-2-phenylethenyl]oxazinane-4,4-dicarboxylate
CID 10000767
dimethyl (3R,6S)-6-methyl-2,3-diphenyloxazinane-4,4-dicarboxylate
CID 10406782
dimethyl (3R,6R)-6-ethenyl-2,3-diphenyloxazinane-4,4-dicarboxylate
CID 10407473
dimethyl (3R,6S)-2-benzyl-6-methyl-3-phenyloxazinane-4,4-dicarboxylate
CID 10430041
dimethyl (3R,6R)-2-phenyl-6-[(E)-2-phenylethenyl]-3-propan-2-yloxazinane-4,4-dicarboxylate
CID 10432415
dimethyl (3R,6R)-6-ethenyl-2-(2-iodophenyl)-3-phenyloxazinane-4,4-dicarboxylate
CID 10436252
dimethyl (9R,12R)-8-methylidene-12-phenyl-13-oxa-1-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-11,11-dicarboxylate
CID 11417615
Dimethyl 2,3-diphenyloxazinane-4,4-dicarboxylate
CID 12172779
Diethyl 2,3-diphenyloxazinane-4,4-dicarboxylate
CID 12172780

Frequently Asked Questions

What is the IUPAC name of dimethyl (3R,6R)-2,6-diphenyl-3-propan-2-yloxazinane-4,4-dicarboxylate?
The IUPAC name of dimethyl (3R,6R)-2,6-diphenyl-3-propan-2-yloxazinane-4,4-dicarboxylate (CID 10069389) is dimethyl (3R,6R)-2,6-diphenyl-3-propan-2-yloxazinane-4,4-dicarboxylate.
What is the SMILES notation for dimethyl (3R,6R)-2,6-diphenyl-3-propan-2-yloxazinane-4,4-dicarboxylate?
The canonical SMILES for dimethyl (3R,6R)-2,6-diphenyl-3-propan-2-yloxazinane-4,4-dicarboxylate is COC(=O)C1(C(=O)OC)C[C@H](c2ccccc2)ON(c2ccccc2)[C@@H]1C(C)C.
What is the InChIKey of dimethyl (3R,6R)-2,6-diphenyl-3-propan-2-yloxazinane-4,4-dicarboxylate?
The InChIKey is RFNPSAIXZSOVHW-WOJBJXKFSA-N. The full InChI is InChI=1S/C23H27NO5/c1-16(2)20-23(21(25)27-3,22(26)28-4)15-19(17-11-7-5-8-12-17)29-24(20)18-13-9-6-10-14-18/h5-14,16,19-20H,15H2,1-4H3/t19-,20-/m1/s1.
What are the key properties of dimethyl (3R,6R)-2,6-diphenyl-3-propan-2-yloxazinane-4,4-dicarboxylate?
dimethyl (3R,6R)-2,6-diphenyl-3-propan-2-yloxazinane-4,4-dicarboxylate has a molecular weight of 397.47 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (3R,6R)-2,6-diphenyl-3-propan-2-yloxazinane-4,4-dicarboxylate is sourced from PubChem (CID 10069389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).