(2R)-2-(4-methyl-2-nitrophenoxy)-N-(3-methylphenyl)propanamide

C17H18N2O4 — CID 8562253

IUPAC(2R)-2-(4-methyl-2-nitrophenoxy)-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2[N+](=O)[O-])c1
InChIInChI=1S/C17H18N2O4/c1-11-5-4-6-14(9-11)18-17(20)13(3)23-16-8-7-12(2)10-15(16)19(21)22/h4-10,13H,1-3H3,(H,18,20)/t13-/m1/s1
InChIKeyXQHGOVHYRIGBFD-CYBMUJFWSA-N
MW314.34 g/mol
LogP3.62
Rot. Bonds5

About (2R)-2-(4-methyl-2-nitrophenoxy)-N-(3-methylphenyl)propanamide

(2R)-2-(4-methyl-2-nitrophenoxy)-N-(3-methylphenyl)propanamide (PubChem CID 8562253) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is (2R)-2-(4-methyl-2-nitrophenoxy)-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-methyl-2-nitrophenoxy)-N-(3-methylphenyl)propanamide
PubChem CID8562253
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name(2R)-2-(4-methyl-2-nitrophenoxy)-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2[N+](=O)[O-])c1
InChIInChI=1S/C17H18N2O4/c1-11-5-4-6-14(9-11)18-17(20)13(3)23-16-8-7-12(2)10-15(16)19(21)22/h4-10,13H,1-3H3,(H,18,20)/t13-/m1/s1
InChIKeyXQHGOVHYRIGBFD-CYBMUJFWSA-N
XLogP3.62
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.62
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-(4-chlorophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8562600
(2R)-2-(5-fluoro-2-nitrophenoxy)-N-(3-methylphenyl)propanamide
CID 7438408
(2R)-N-(4-acetylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8560082
(2R)-N-(2-bromo-4-methylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8941347
(2R)-2-(2,4-dimethylphenoxy)-N-(3-methylphenyl)propanamide
CID 837579
(2S)-2-(2,4-dimethylphenoxy)-N-(3-methylphenyl)propanamide
CID 837580
(2S)-N-(1,3-benzodioxol-5-yl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8562055
(2S)-N-(2-chlorophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8941027
(2R)-N-(4-methylphenyl)-2-(2-nitrophenoxy)propanamide
CID 7503574
(2S)-N-(2-ethoxyphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8941253
(2R)-2-(4-chloro-2-nitrophenoxy)-N-(3-methoxyphenyl)propanamide
CID 7990797
[1-(3-methylanilino)-1-oxopropan-2-yl] 4-ethoxy-3-nitrobenzoate
CID 46809257

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methyl-2-nitrophenoxy)-N-(3-methylphenyl)propanamide?
The IUPAC name of (2R)-2-(4-methyl-2-nitrophenoxy)-N-(3-methylphenyl)propanamide (CID 8562253) is (2R)-2-(4-methyl-2-nitrophenoxy)-N-(3-methylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(4-methyl-2-nitrophenoxy)-N-(3-methylphenyl)propanamide?
The canonical SMILES for (2R)-2-(4-methyl-2-nitrophenoxy)-N-(3-methylphenyl)propanamide is Cc1cccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2[N+](=O)[O-])c1.
What is the InChIKey of (2R)-2-(4-methyl-2-nitrophenoxy)-N-(3-methylphenyl)propanamide?
The InChIKey is XQHGOVHYRIGBFD-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-11-5-4-6-14(9-11)18-17(20)13(3)23-16-8-7-12(2)10-15(16)19(21)22/h4-10,13H,1-3H3,(H,18,20)/t13-/m1/s1.
What are the key properties of (2R)-2-(4-methyl-2-nitrophenoxy)-N-(3-methylphenyl)propanamide?
(2R)-2-(4-methyl-2-nitrophenoxy)-N-(3-methylphenyl)propanamide has a molecular weight of 314.34 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methyl-2-nitrophenoxy)-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 8562253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).