(2R)-N-(2,5-dimethylphenyl)-2-(4-nitrophenoxy)-2-phenylacetamide

C22H20N2O4 — CID 7816653

IUPAC(2R)-N-(2,5-dimethylphenyl)-2-(4-nitrophenoxy)-2-phenylacetamide
SMILESCc1ccc(C)c(NC(=O)[C@H](Oc2ccc([N+](=O)[O-])cc2)c2ccccc2)c1
InChIInChI=1S/C22H20N2O4/c1-15-8-9-16(2)20(14-15)23-22(25)21(17-6-4-3-5-7-17)28-19-12-10-18(11-13-19)24(26)27/h3-14,21H,1-2H3,(H,23,25)/t21-/m1/s1
InChIKeyOMFYZVFLILQWGC-OAQYLSRUSA-N
MW376.41 g/mol
LogP4.97
Rot. Bonds6

About (2R)-N-(2,5-dimethylphenyl)-2-(4-nitrophenoxy)-2-phenylacetamide

(2R)-N-(2,5-dimethylphenyl)-2-(4-nitrophenoxy)-2-phenylacetamide (PubChem CID 7816653) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is (2R)-N-(2,5-dimethylphenyl)-2-(4-nitrophenoxy)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-(2,5-dimethylphenyl)-2-(4-nitrophenoxy)-2-phenylacetamide
PubChem CID7816653
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name(2R)-N-(2,5-dimethylphenyl)-2-(4-nitrophenoxy)-2-phenylacetamide
SMILESCc1ccc(C)c(NC(=O)[C@H](Oc2ccc([N+](=O)[O-])cc2)c2ccccc2)c1
InChIInChI=1S/C22H20N2O4/c1-15-8-9-16(2)20(14-15)23-22(25)21(17-6-4-3-5-7-17)28-19-12-10-18(11-13-19)24(26)27/h3-14,21H,1-2H3,(H,23,25)/t21-/m1/s1
InChIKeyOMFYZVFLILQWGC-OAQYLSRUSA-N
XLogP4.97
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(2S)-N-(2-methoxy-5-methylphenyl)-2-(4-nitrophenoxy)-2-phenylacetamide
CID 2632132
[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-chloro-4-nitrobenzoate
CID 41236822
[2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-methoxy-5-nitrobenzoate
CID 46608761
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-nitrophenoxy)-2-phenylacetamide
CID 40812379
[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 3-methyl-4-nitrobenzoate
CID 7759450
N-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)butanamide
CID 4949937
2-methoxy-N-(2-methyl-4-nitrophenyl)-2-phenylacetamide
CID 23790591
(2R)-N-(2-methyl-5-nitrophenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 9239004
(2R)-2-(4-nitrophenoxy)-1,2-diphenylethanone
CID 7816651
[2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 4-chloro-3-nitrobenzoate
CID 18270511
(2R)-2-(2,4-difluorophenoxy)-N-(2,5-dimethylphenyl)-2-phenylacetamide
CID 51645271
(2S)-2-(4-methoxyphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 719492

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,5-dimethylphenyl)-2-(4-nitrophenoxy)-2-phenylacetamide?
The IUPAC name of (2R)-N-(2,5-dimethylphenyl)-2-(4-nitrophenoxy)-2-phenylacetamide (CID 7816653) is (2R)-N-(2,5-dimethylphenyl)-2-(4-nitrophenoxy)-2-phenylacetamide.
What is the SMILES notation for (2R)-N-(2,5-dimethylphenyl)-2-(4-nitrophenoxy)-2-phenylacetamide?
The canonical SMILES for (2R)-N-(2,5-dimethylphenyl)-2-(4-nitrophenoxy)-2-phenylacetamide is Cc1ccc(C)c(NC(=O)[C@H](Oc2ccc([N+](=O)[O-])cc2)c2ccccc2)c1.
What is the InChIKey of (2R)-N-(2,5-dimethylphenyl)-2-(4-nitrophenoxy)-2-phenylacetamide?
The InChIKey is OMFYZVFLILQWGC-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-15-8-9-16(2)20(14-15)23-22(25)21(17-6-4-3-5-7-17)28-19-12-10-18(11-13-19)24(26)27/h3-14,21H,1-2H3,(H,23,25)/t21-/m1/s1.
What are the key properties of (2R)-N-(2,5-dimethylphenyl)-2-(4-nitrophenoxy)-2-phenylacetamide?
(2R)-N-(2,5-dimethylphenyl)-2-(4-nitrophenoxy)-2-phenylacetamide has a molecular weight of 376.41 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,5-dimethylphenyl)-2-(4-nitrophenoxy)-2-phenylacetamide is sourced from PubChem (CID 7816653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).