[(4R,6R)-4-methyl-6-phenyl-1,5,2-dioxazinan-2-yl]-phenylmethanone

C17H17NO3 — CID 699644

IUPAC[(4R,6R)-4-methyl-6-phenyl-1,5,2-dioxazinan-2-yl]-phenylmethanone
SMILESC[C@@H]1CN(C(=O)c2ccccc2)O[C@H](c2ccccc2)O1
InChIInChI=1S/C17H17NO3/c1-13-12-18(16(19)14-8-4-2-5-9-14)21-17(20-13)15-10-6-3-7-11-15/h2-11,13,17H,12H2,1H3/t13-,17-/m1/s1
InChIKeyXNLLWWKXWDVBKO-CXAGYDPISA-N
MW283.33 g/mol
LogP3.18
Rot. Bonds2

About [(4R,6R)-4-methyl-6-phenyl-1,5,2-dioxazinan-2-yl]-phenylmethanone

[(4R,6R)-4-methyl-6-phenyl-1,5,2-dioxazinan-2-yl]-phenylmethanone (PubChem CID 699644) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is [(4R,6R)-4-methyl-6-phenyl-1,5,2-dioxazinan-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[(4R,6R)-4-methyl-6-phenyl-1,5,2-dioxazinan-2-yl]-phenylmethanone
PubChem CID699644
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name[(4R,6R)-4-methyl-6-phenyl-1,5,2-dioxazinan-2-yl]-phenylmethanone
SMILESC[C@@H]1CN(C(=O)c2ccccc2)O[C@H](c2ccccc2)O1
InChIInChI=1S/C17H17NO3/c1-13-12-18(16(19)14-8-4-2-5-9-14)21-17(20-13)15-10-6-3-7-11-15/h2-11,13,17H,12H2,1H3/t13-,17-/m1/s1
InChIKeyXNLLWWKXWDVBKO-CXAGYDPISA-N
XLogP3.18
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-6-phenylmorpholin-4-yl)-phenylmethanone
CID 47914795
1,3-benzodioxol-5-yl-[(4R,6S)-4-methyl-6-pyridin-3-yl-1,5,2-dioxazinan-2-yl]methanone
CID 706787
[(4S,6R)-4-(phenoxymethyl)-6-pyridin-3-yl-1,5,2-dioxazinan-2-yl]-phenylmethanone
CID 1239786
(2-methyl-5-phenyl-1,3-oxazolidin-3-yl)-phenylmethanone
CID 110740529
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-phenylphenyl)methanone
CID 7316313
(2,6-dimethylmorpholin-4-yl)-(4-phenylphenyl)methanone
CID 3118736
(3-methoxy-2,6-dimethylmorpholin-4-yl)-phenylmethanone
CID 10901016
(7-benzoyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-phenylmethanone
CID 22336071
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
[(4S,6R)-6-(2,4-dichlorophenyl)-4-(phenoxymethyl)-1,5,2-dioxazinan-2-yl]-phenylmethanone
CID 6553201
4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]benzoic acid
CID 93051085
4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]benzoic acid
CID 93051084

Frequently Asked Questions

What is the IUPAC name of [(4R,6R)-4-methyl-6-phenyl-1,5,2-dioxazinan-2-yl]-phenylmethanone?
The IUPAC name of [(4R,6R)-4-methyl-6-phenyl-1,5,2-dioxazinan-2-yl]-phenylmethanone (CID 699644) is [(4R,6R)-4-methyl-6-phenyl-1,5,2-dioxazinan-2-yl]-phenylmethanone.
What is the SMILES notation for [(4R,6R)-4-methyl-6-phenyl-1,5,2-dioxazinan-2-yl]-phenylmethanone?
The canonical SMILES for [(4R,6R)-4-methyl-6-phenyl-1,5,2-dioxazinan-2-yl]-phenylmethanone is C[C@@H]1CN(C(=O)c2ccccc2)O[C@H](c2ccccc2)O1.
What is the InChIKey of [(4R,6R)-4-methyl-6-phenyl-1,5,2-dioxazinan-2-yl]-phenylmethanone?
The InChIKey is XNLLWWKXWDVBKO-CXAGYDPISA-N. The full InChI is InChI=1S/C17H17NO3/c1-13-12-18(16(19)14-8-4-2-5-9-14)21-17(20-13)15-10-6-3-7-11-15/h2-11,13,17H,12H2,1H3/t13-,17-/m1/s1.
What are the key properties of [(4R,6R)-4-methyl-6-phenyl-1,5,2-dioxazinan-2-yl]-phenylmethanone?
[(4R,6R)-4-methyl-6-phenyl-1,5,2-dioxazinan-2-yl]-phenylmethanone has a molecular weight of 283.33 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,6R)-4-methyl-6-phenyl-1,5,2-dioxazinan-2-yl]-phenylmethanone is sourced from PubChem (CID 699644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).