(3R)-3-(3-methoxyphenyl)-3-(methylamino)oxan-2-one

C13H17NO3 — CID 153363684

IUPAC(3R)-3-(3-methoxyphenyl)-3-(methylamino)oxan-2-one
SMILESCN[C@@]1(c2cccc(OC)c2)CCCOC1=O
InChIInChI=1S/C13H17NO3/c1-14-13(7-4-8-17-12(13)15)10-5-3-6-11(9-10)16-2/h3,5-6,9,14H,4,7-8H2,1-2H3/t13-/m1/s1
InChIKeyHSUORAOXDAQMKG-CYBMUJFWSA-N
MW235.28 g/mol
LogP1.45
Rot. Bonds3

About (3R)-3-(3-methoxyphenyl)-3-(methylamino)oxan-2-one

(3R)-3-(3-methoxyphenyl)-3-(methylamino)oxan-2-one (PubChem CID 153363684) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is (3R)-3-(3-methoxyphenyl)-3-(methylamino)oxan-2-one.

Molecular Properties

Compound Name(3R)-3-(3-methoxyphenyl)-3-(methylamino)oxan-2-one
PubChem CID153363684
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name(3R)-3-(3-methoxyphenyl)-3-(methylamino)oxan-2-one
SMILESCN[C@@]1(c2cccc(OC)c2)CCCOC1=O
InChIInChI=1S/C13H17NO3/c1-14-13(7-4-8-17-12(13)15)10-5-3-6-11(9-10)16-2/h3,5-6,9,14H,4,7-8H2,1-2H3/t13-/m1/s1
InChIKeyHSUORAOXDAQMKG-CYBMUJFWSA-N
XLogP1.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-amino-3-(3-methoxyphenyl)oxan-2-one
CID 153363676
(6R)-6-(3-methoxyphenyl)-6-(methylamino)cyclohex-2-en-1-one
CID 138575946
2-(3-methoxyphenyl)-2-methylcyclopentan-1-one
CID 14565708
2-(3-methoxyphenyl)-2-methylcyclohexan-1-one
CID 20571960
4-(3-methoxyphenyl)-4-methyl-1,3-oxazinan-2-one
CID 105477275
1-(3-methoxyphenyl)cyclobutane-1-carbaldehyde
CID 83684685
1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene
CID 23534042
N-[[4-(3-methoxyphenyl)oxan-4-yl]methyl]propan-2-amine
CID 62594249
(6R)-6-(ethylamino)-6-(3-methoxyphenyl)cyclohex-2-en-1-one
CID 142560385
N-ethyl-1-(3-methoxyphenyl)cyclohexan-1-amine
CID 57461569
2-hydroxy-2-methyl-6-(methylamino)-6-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one
CID 169100260
(3R)-3-(3-methoxyphenyl)-3-(4-methoxyphenyl)cyclohexan-1-one
CID 134963199

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-methoxyphenyl)-3-(methylamino)oxan-2-one?
The IUPAC name of (3R)-3-(3-methoxyphenyl)-3-(methylamino)oxan-2-one (CID 153363684) is (3R)-3-(3-methoxyphenyl)-3-(methylamino)oxan-2-one.
What is the SMILES notation for (3R)-3-(3-methoxyphenyl)-3-(methylamino)oxan-2-one?
The canonical SMILES for (3R)-3-(3-methoxyphenyl)-3-(methylamino)oxan-2-one is CN[C@@]1(c2cccc(OC)c2)CCCOC1=O.
What is the InChIKey of (3R)-3-(3-methoxyphenyl)-3-(methylamino)oxan-2-one?
The InChIKey is HSUORAOXDAQMKG-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H17NO3/c1-14-13(7-4-8-17-12(13)15)10-5-3-6-11(9-10)16-2/h3,5-6,9,14H,4,7-8H2,1-2H3/t13-/m1/s1.
What are the key properties of (3R)-3-(3-methoxyphenyl)-3-(methylamino)oxan-2-one?
(3R)-3-(3-methoxyphenyl)-3-(methylamino)oxan-2-one has a molecular weight of 235.28 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-methoxyphenyl)-3-(methylamino)oxan-2-one is sourced from PubChem (CID 153363684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).