(2R)-2-(2,6-dimethylphenoxy)-N-(4-nitrophenyl)propanamide

C17H18N2O4 — CID 9297382

IUPAC(2R)-2-(2,6-dimethylphenoxy)-N-(4-nitrophenyl)propanamide
SMILESCc1cccc(C)c1O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H18N2O4/c1-11-5-4-6-12(2)16(11)23-13(3)17(20)18-14-7-9-15(10-8-14)19(21)22/h4-10,13H,1-3H3,(H,18,20)/t13-/m1/s1
InChIKeyAAYHELAVGWEDJW-CYBMUJFWSA-N
MW314.34 g/mol
LogP3.62
Rot. Bonds5

About (2R)-2-(2,6-dimethylphenoxy)-N-(4-nitrophenyl)propanamide

(2R)-2-(2,6-dimethylphenoxy)-N-(4-nitrophenyl)propanamide (PubChem CID 9297382) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is (2R)-2-(2,6-dimethylphenoxy)-N-(4-nitrophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2,6-dimethylphenoxy)-N-(4-nitrophenyl)propanamide
PubChem CID9297382
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name(2R)-2-(2,6-dimethylphenoxy)-N-(4-nitrophenyl)propanamide
SMILESCc1cccc(C)c1O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H18N2O4/c1-11-5-4-6-12(2)16(11)23-13(3)17(20)18-14-7-9-15(10-8-14)19(21)22/h4-10,13H,1-3H3,(H,18,20)/t13-/m1/s1
InChIKeyAAYHELAVGWEDJW-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

2-(4-nitrophenoxy)-N-(4-nitrophenyl)propanamide
CID 4951253
(2S)-N-(4-nitrophenyl)-2-phenoxypropanamide
CID 40543008
(2S)-N-(4-methylphenyl)-2-(4-nitrophenoxy)propanamide
CID 2632168
(2R)-2-(2,6-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 9297225
2-(2,3-dichlorophenoxy)-N-(4-nitrophenyl)propanamide
CID 42990455
N-[4-[2-(2,6-dimethylphenoxy)propanoylamino]phenyl]butanamide
CID 17202534
2-(2,6-dimethylphenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide
CID 4958565
(2S)-N-(3-chloro-4-methylphenyl)-2-(2,6-dimethylphenoxy)propanamide
CID 9297447
2-(2,3-dimethylanilino)-N-(4-nitrophenyl)propanamide
CID 46799647
2-methyl-N-[3-[2-(4-nitrophenoxy)propanoylamino]phenyl]propanamide
CID 17189238
(2R)-2-(4-cyanophenoxy)-N-(4-nitrophenyl)propanamide
CID 7832898
(2R)-N-(2-methyl-6-propan-2-ylphenyl)-2-(4-nitrophenoxy)propanamide
CID 7816896

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,6-dimethylphenoxy)-N-(4-nitrophenyl)propanamide?
The IUPAC name of (2R)-2-(2,6-dimethylphenoxy)-N-(4-nitrophenyl)propanamide (CID 9297382) is (2R)-2-(2,6-dimethylphenoxy)-N-(4-nitrophenyl)propanamide.
What is the SMILES notation for (2R)-2-(2,6-dimethylphenoxy)-N-(4-nitrophenyl)propanamide?
The canonical SMILES for (2R)-2-(2,6-dimethylphenoxy)-N-(4-nitrophenyl)propanamide is Cc1cccc(C)c1O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (2R)-2-(2,6-dimethylphenoxy)-N-(4-nitrophenyl)propanamide?
The InChIKey is AAYHELAVGWEDJW-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-11-5-4-6-12(2)16(11)23-13(3)17(20)18-14-7-9-15(10-8-14)19(21)22/h4-10,13H,1-3H3,(H,18,20)/t13-/m1/s1.
What are the key properties of (2R)-2-(2,6-dimethylphenoxy)-N-(4-nitrophenyl)propanamide?
(2R)-2-(2,6-dimethylphenoxy)-N-(4-nitrophenyl)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-(2,6-dimethylphenoxy)-N-(4-nitrophenyl)propanamide is sourced from PubChem (CID 9297382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).