(2R)-2-(3-methyl-4-nitrophenoxy)-1-morpholin-4-yl-2-phenylethanone

C19H20N2O5 — CID 8514682

IUPAC(2R)-2-(3-methyl-4-nitrophenoxy)-1-morpholin-4-yl-2-phenylethanone
SMILESCc1cc(O[C@@H](C(=O)N2CCOCC2)c2ccccc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C19H20N2O5/c1-14-13-16(7-8-17(14)21(23)24)26-18(15-5-3-2-4-6-15)19(22)20-9-11-25-12-10-20/h2-8,13,18H,9-12H2,1H3/t18-/m1/s1
InChIKeyJGTCNENWLKGUDD-GOSISDBHSA-N
MW356.38 g/mol
LogP2.88
Rot. Bonds5

About (2R)-2-(3-methyl-4-nitrophenoxy)-1-morpholin-4-yl-2-phenylethanone

(2R)-2-(3-methyl-4-nitrophenoxy)-1-morpholin-4-yl-2-phenylethanone (PubChem CID 8514682) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is (2R)-2-(3-methyl-4-nitrophenoxy)-1-morpholin-4-yl-2-phenylethanone.

Molecular Properties

Compound Name(2R)-2-(3-methyl-4-nitrophenoxy)-1-morpholin-4-yl-2-phenylethanone
PubChem CID8514682
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name(2R)-2-(3-methyl-4-nitrophenoxy)-1-morpholin-4-yl-2-phenylethanone
SMILESCc1cc(O[C@@H](C(=O)N2CCOCC2)c2ccccc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C19H20N2O5/c1-14-13-16(7-8-17(14)21(23)24)26-18(15-5-3-2-4-6-15)19(22)20-9-11-25-12-10-20/h2-8,13,18H,9-12H2,1H3/t18-/m1/s1
InChIKeyJGTCNENWLKGUDD-GOSISDBHSA-N
XLogP2.88
TPSA81.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.88
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

4-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethoxy]benzamide
CID 8639436
2-(2-methoxy-4-methylphenoxy)-1-morpholin-4-yl-2-phenylethanone
CID 17467186
(2S)-1-morpholin-4-yl-2-[(2-nitro-3-pyridinyl)oxy]-2-phenylethanone
CID 40657737
[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-amino-3-nitrobenzoate
CID 7602121
(2S)-2-(2-nitrophenoxy)-2-phenyl-1-piperidin-1-ylethanone
CID 7697246
(2R)-1-morpholin-4-yl-2-phenyl-2-(2,4,5-trichlorophenoxy)ethanone
CID 7701309
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-methoxybenzoate
CID 18198778
3-methyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-4-nitrobenzamide
CID 9148512
2-(4-methylsulfonylphenoxy)-2-phenyl-1-pyrrolidin-1-ylethanone
CID 51210306
(2R)-2-(2-bromo-4-chlorophenoxy)-1-morpholin-4-yl-2-phenylethanone
CID 7706069
[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(4-ethoxyphenoxy)acetate
CID 7704937
[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2,5-dimethoxybenzoate
CID 7716217

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methyl-4-nitrophenoxy)-1-morpholin-4-yl-2-phenylethanone?
The IUPAC name of (2R)-2-(3-methyl-4-nitrophenoxy)-1-morpholin-4-yl-2-phenylethanone (CID 8514682) is (2R)-2-(3-methyl-4-nitrophenoxy)-1-morpholin-4-yl-2-phenylethanone.
What is the SMILES notation for (2R)-2-(3-methyl-4-nitrophenoxy)-1-morpholin-4-yl-2-phenylethanone?
The canonical SMILES for (2R)-2-(3-methyl-4-nitrophenoxy)-1-morpholin-4-yl-2-phenylethanone is Cc1cc(O[C@@H](C(=O)N2CCOCC2)c2ccccc2)ccc1[N+](=O)[O-].
What is the InChIKey of (2R)-2-(3-methyl-4-nitrophenoxy)-1-morpholin-4-yl-2-phenylethanone?
The InChIKey is JGTCNENWLKGUDD-GOSISDBHSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-14-13-16(7-8-17(14)21(23)24)26-18(15-5-3-2-4-6-15)19(22)20-9-11-25-12-10-20/h2-8,13,18H,9-12H2,1H3/t18-/m1/s1.
What are the key properties of (2R)-2-(3-methyl-4-nitrophenoxy)-1-morpholin-4-yl-2-phenylethanone?
(2R)-2-(3-methyl-4-nitrophenoxy)-1-morpholin-4-yl-2-phenylethanone has a molecular weight of 356.38 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-methyl-4-nitrophenoxy)-1-morpholin-4-yl-2-phenylethanone is sourced from PubChem (CID 8514682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).