(2R)-N-(4-acetylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide

C18H18N2O5 — CID 8560082

IUPAC(2R)-N-(4-acetylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
SMILESCC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C18H18N2O5/c1-11-4-9-17(16(10-11)20(23)24)25-13(3)18(22)19-15-7-5-14(6-8-15)12(2)21/h4-10,13H,1-3H3,(H,19,22)/t13-/m1/s1
InChIKeyGQDATRXHBKIVQE-CYBMUJFWSA-N
MW342.35 g/mol
LogP3.51
Rot. Bonds6

About (2R)-N-(4-acetylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide

(2R)-N-(4-acetylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide (PubChem CID 8560082) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is (2R)-N-(4-acetylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(4-acetylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
PubChem CID8560082
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name(2R)-N-(4-acetylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
SMILESCC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C18H18N2O5/c1-11-4-9-17(16(10-11)20(23)24)25-13(3)18(22)19-15-7-5-14(6-8-15)12(2)21/h4-10,13H,1-3H3,(H,19,22)/t13-/m1/s1
InChIKeyGQDATRXHBKIVQE-CYBMUJFWSA-N
XLogP3.51
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.51
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

(2S)-N-(4-chlorophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8562600
(2R)-2-(4-methyl-2-nitrophenoxy)-N-(3-methylphenyl)propanamide
CID 8562253
N-(4-acetylphenyl)-2-(4-methyl-2-nitrophenoxy)acetamide
CID 8559480
(2S)-N-(4-acetamidophenyl)-2-(4-chloro-2-nitrophenoxy)propanamide
CID 7979689
(2R)-N-(4-methylphenyl)-2-(2-nitrophenoxy)propanamide
CID 7503574
(2S)-N-(1,3-benzodioxol-5-yl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8562055
(2R)-N-(2-bromo-4-methylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8941347
N-[4-[(2R)-2-(4-methyl-2-nitrophenoxy)propanoyl]phenyl]butanamide
CID 39952567
N-(4-acetamidophenyl)-2-(2-nitrophenoxy)propanamide
CID 4810380
(2S)-N-(2-chlorophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8941027
methyl 4-[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]oxy-3-nitrobenzoate
CID 9003263
(2R)-N-(4-methoxy-2-nitrophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8941065

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-acetylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide?
The IUPAC name of (2R)-N-(4-acetylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide (CID 8560082) is (2R)-N-(4-acetylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide.
What is the SMILES notation for (2R)-N-(4-acetylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide?
The canonical SMILES for (2R)-N-(4-acetylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide is CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2[N+](=O)[O-])cc1.
What is the InChIKey of (2R)-N-(4-acetylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide?
The InChIKey is GQDATRXHBKIVQE-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-11-4-9-17(16(10-11)20(23)24)25-13(3)18(22)19-15-7-5-14(6-8-15)12(2)21/h4-10,13H,1-3H3,(H,19,22)/t13-/m1/s1.
What are the key properties of (2R)-N-(4-acetylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide?
(2R)-N-(4-acetylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide has a molecular weight of 342.35 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-acetylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide is sourced from PubChem (CID 8560082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).