(2S)-N-(2-methoxy-5-methylphenyl)-2-(4-nitrophenoxy)-2-phenylacetamide

C22H20N2O5 — CID 2632132

IUPAC(2S)-N-(2-methoxy-5-methylphenyl)-2-(4-nitrophenoxy)-2-phenylacetamide
SMILESCOc1ccc(C)cc1NC(=O)[C@@H](Oc1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C22H20N2O5/c1-15-8-13-20(28-2)19(14-15)23-22(25)21(16-6-4-3-5-7-16)29-18-11-9-17(10-12-18)24(26)27/h3-14,21H,1-2H3,(H,23,25)/t21-/m0/s1
InChIKeyNQBOSVAFMLHGKQ-NRFANRHFSA-N
MW392.41 g/mol
LogP4.67
Rot. Bonds7

About (2S)-N-(2-methoxy-5-methylphenyl)-2-(4-nitrophenoxy)-2-phenylacetamide

(2S)-N-(2-methoxy-5-methylphenyl)-2-(4-nitrophenoxy)-2-phenylacetamide (PubChem CID 2632132) has the molecular formula C22H20N2O5 and a molecular weight of 392.41 g/mol. Its IUPAC name is (2S)-N-(2-methoxy-5-methylphenyl)-2-(4-nitrophenoxy)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-(2-methoxy-5-methylphenyl)-2-(4-nitrophenoxy)-2-phenylacetamide
PubChem CID2632132
Molecular FormulaC22H20N2O5
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Name(2S)-N-(2-methoxy-5-methylphenyl)-2-(4-nitrophenoxy)-2-phenylacetamide
SMILESCOc1ccc(C)cc1NC(=O)[C@@H](Oc1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C22H20N2O5/c1-15-8-13-20(28-2)19(14-15)23-22(25)21(16-6-4-3-5-7-16)29-18-11-9-17(10-12-18)24(26)27/h3-14,21H,1-2H3,(H,23,25)/t21-/m0/s1
InChIKeyNQBOSVAFMLHGKQ-NRFANRHFSA-N
XLogP4.67
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 54.67
H-Bond Donors ≤ 51
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

(2R)-N-(2,5-dimethylphenyl)-2-(4-nitrophenoxy)-2-phenylacetamide
CID 7816653
1-(2-methoxy-5-methylphenyl)-3-[2-(4-nitrophenoxy)propanoylamino]urea
CID 2954956
(2R)-2-methoxy-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 883174
(2R)-2-(3-cyanophenoxy)-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 8537318
[2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-methoxy-5-nitrobenzoate
CID 46608761
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenoxy)propanoate
CID 46603193
(2R)-N-(2-methoxy-5-methylphenyl)-2-(3-nitroanilino)-2-phenylacetamide
CID 9345509
(2S)-N-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide
CID 897896
(2S)-N-(2-methoxy-5-methylphenyl)-2-(3-nitrophenoxy)propanamide
CID 8956638
(2S)-N-(2-methoxy-5-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide
CID 40789747
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-nitrophenoxy)-2-phenylacetamide
CID 40812379
N-(2-methoxy-5-nitrophenyl)-2-phenoxybutanamide
CID 2931263

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methoxy-5-methylphenyl)-2-(4-nitrophenoxy)-2-phenylacetamide?
The IUPAC name of (2S)-N-(2-methoxy-5-methylphenyl)-2-(4-nitrophenoxy)-2-phenylacetamide (CID 2632132) is (2S)-N-(2-methoxy-5-methylphenyl)-2-(4-nitrophenoxy)-2-phenylacetamide.
What is the SMILES notation for (2S)-N-(2-methoxy-5-methylphenyl)-2-(4-nitrophenoxy)-2-phenylacetamide?
The canonical SMILES for (2S)-N-(2-methoxy-5-methylphenyl)-2-(4-nitrophenoxy)-2-phenylacetamide is COc1ccc(C)cc1NC(=O)[C@@H](Oc1ccc([N+](=O)[O-])cc1)c1ccccc1.
What is the InChIKey of (2S)-N-(2-methoxy-5-methylphenyl)-2-(4-nitrophenoxy)-2-phenylacetamide?
The InChIKey is NQBOSVAFMLHGKQ-NRFANRHFSA-N. The full InChI is InChI=1S/C22H20N2O5/c1-15-8-13-20(28-2)19(14-15)23-22(25)21(16-6-4-3-5-7-16)29-18-11-9-17(10-12-18)24(26)27/h3-14,21H,1-2H3,(H,23,25)/t21-/m0/s1.
What are the key properties of (2S)-N-(2-methoxy-5-methylphenyl)-2-(4-nitrophenoxy)-2-phenylacetamide?
(2S)-N-(2-methoxy-5-methylphenyl)-2-(4-nitrophenoxy)-2-phenylacetamide has a molecular weight of 392.41 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methoxy-5-methylphenyl)-2-(4-nitrophenoxy)-2-phenylacetamide is sourced from PubChem (CID 2632132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).