(6S)-4-[(4-methoxyphenyl)methyl]-6-(4-nitrophenyl)morpholin-3-one

C18H18N2O5 — CID 67354355

IUPAC(6S)-4-[(4-methoxyphenyl)methyl]-6-(4-nitrophenyl)morpholin-3-one
SMILESCOc1ccc(CN2C[C@H](c3ccc([N+](=O)[O-])cc3)OCC2=O)cc1
InChIInChI=1S/C18H18N2O5/c1-24-16-8-2-13(3-9-16)10-19-11-17(25-12-18(19)21)14-4-6-15(7-5-14)20(22)23/h2-9,17H,10-12H2,1H3/t17-/m1/s1
InChIKeyVSWBJYUWXVZCGE-QGZVFWFLSA-N
MW342.35 g/mol
LogP2.70
Rot. Bonds5

About (6S)-4-[(4-methoxyphenyl)methyl]-6-(4-nitrophenyl)morpholin-3-one

(6S)-4-[(4-methoxyphenyl)methyl]-6-(4-nitrophenyl)morpholin-3-one (PubChem CID 67354355) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is (6S)-4-[(4-methoxyphenyl)methyl]-6-(4-nitrophenyl)morpholin-3-one.

Molecular Properties

Compound Name(6S)-4-[(4-methoxyphenyl)methyl]-6-(4-nitrophenyl)morpholin-3-one
PubChem CID67354355
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name(6S)-4-[(4-methoxyphenyl)methyl]-6-(4-nitrophenyl)morpholin-3-one
SMILESCOc1ccc(CN2C[C@H](c3ccc([N+](=O)[O-])cc3)OCC2=O)cc1
InChIInChI=1S/C18H18N2O5/c1-24-16-8-2-13(3-9-16)10-19-11-17(25-12-18(19)21)14-4-6-15(7-5-14)20(22)23/h2-9,17H,10-12H2,1H3/t17-/m1/s1
InChIKeyVSWBJYUWXVZCGE-QGZVFWFLSA-N
XLogP2.70
TPSA81.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-2-(4-methoxyphenyl)-3-[(4-nitrophenyl)methyl]imidazolidine
CID 101217629
(6S)-4-tert-butyl-6-(4-nitrophenyl)morpholin-3-one
CID 67351700
(1R,4R,5S)-2-[(4-methoxyphenyl)methyl]-5-(4-nitrophenyl)-2-azabicyclo[2.2.1]heptan-3-one
CID 102231019
2-(4-methoxyphenyl)-1-[(4-nitrophenyl)methyl]piperazine
CID 21331832
(6R)-6-(4-bromophenyl)-4-[(2,4-dimethoxyphenyl)methyl]morpholin-3-one
CID 67352581
4-[(2,4-dimethoxyphenyl)methyl]-2-(4-nitrophenyl)morpholine
CID 77271766
(4R)-1-(4-methoxyphenyl)-4-(4-nitrophenyl)pyrrolidin-2-one
CID 11034304
1-[(4-methoxyphenyl)methyl]-4-(4-nitrophenyl)piperazine
CID 2837933
(6R)-4-ethyl-6-(4-phenylmethoxyphenyl)morpholin-3-one
CID 67354065
S-[1-[[4-(4-nitrophenoxy)phenyl]methyl]-5-oxopyrrolidin-3-yl] ethanethioate
CID 22292855
1-benzyl-4-[hydroxy-(4-nitrophenyl)methylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
CID 2889339
[4-(4-ethyl-5-oxomorpholin-2-yl)phenyl] methanesulfonate
CID 78068691

Frequently Asked Questions

What is the IUPAC name of (6S)-4-[(4-methoxyphenyl)methyl]-6-(4-nitrophenyl)morpholin-3-one?
The IUPAC name of (6S)-4-[(4-methoxyphenyl)methyl]-6-(4-nitrophenyl)morpholin-3-one (CID 67354355) is (6S)-4-[(4-methoxyphenyl)methyl]-6-(4-nitrophenyl)morpholin-3-one.
What is the SMILES notation for (6S)-4-[(4-methoxyphenyl)methyl]-6-(4-nitrophenyl)morpholin-3-one?
The canonical SMILES for (6S)-4-[(4-methoxyphenyl)methyl]-6-(4-nitrophenyl)morpholin-3-one is COc1ccc(CN2C[C@H](c3ccc([N+](=O)[O-])cc3)OCC2=O)cc1.
What is the InChIKey of (6S)-4-[(4-methoxyphenyl)methyl]-6-(4-nitrophenyl)morpholin-3-one?
The InChIKey is VSWBJYUWXVZCGE-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-24-16-8-2-13(3-9-16)10-19-11-17(25-12-18(19)21)14-4-6-15(7-5-14)20(22)23/h2-9,17H,10-12H2,1H3/t17-/m1/s1.
What are the key properties of (6S)-4-[(4-methoxyphenyl)methyl]-6-(4-nitrophenyl)morpholin-3-one?
(6S)-4-[(4-methoxyphenyl)methyl]-6-(4-nitrophenyl)morpholin-3-one has a molecular weight of 342.35 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-[(4-methoxyphenyl)methyl]-6-(4-nitrophenyl)morpholin-3-one is sourced from PubChem (CID 67354355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).