(2R)-N-(3,4-dimethylphenyl)-2-(2-nitrophenoxy)propanamide

C17H18N2O4 — CID 9205295

IUPAC(2R)-N-(3,4-dimethylphenyl)-2-(2-nitrophenoxy)propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])cc1C
InChIInChI=1S/C17H18N2O4/c1-11-8-9-14(10-12(11)2)18-17(20)13(3)23-16-7-5-4-6-15(16)19(21)22/h4-10,13H,1-3H3,(H,18,20)/t13-/m1/s1
InChIKeyHYGODFCJLNIMQI-CYBMUJFWSA-N
MW314.34 g/mol
LogP3.62
Rot. Bonds5

About (2R)-N-(3,4-dimethylphenyl)-2-(2-nitrophenoxy)propanamide

(2R)-N-(3,4-dimethylphenyl)-2-(2-nitrophenoxy)propanamide (PubChem CID 9205295) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is (2R)-N-(3,4-dimethylphenyl)-2-(2-nitrophenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(3,4-dimethylphenyl)-2-(2-nitrophenoxy)propanamide
PubChem CID9205295
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name(2R)-N-(3,4-dimethylphenyl)-2-(2-nitrophenoxy)propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])cc1C
InChIInChI=1S/C17H18N2O4/c1-11-8-9-14(10-12(11)2)18-17(20)13(3)23-16-7-5-4-6-15(16)19(21)22/h4-10,13H,1-3H3,(H,18,20)/t13-/m1/s1
InChIKeyHYGODFCJLNIMQI-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

(2R)-N-(4-methylphenyl)-2-(2-nitrophenoxy)propanamide
CID 7503574
N-(4-acetamidophenyl)-2-(2-nitrophenoxy)propanamide
CID 4810380
(2R)-N-(4-iodophenyl)-2-(2-nitrophenoxy)propanamide
CID 9205324
(2R)-N-(4-fluorophenyl)-2-(2-nitrophenoxy)propanamide
CID 7503743
N-(4-chlorophenyl)-2-(2-nitrophenoxy)propanamide
CID 4943658
(2R)-N-(2-methyl-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide
CID 9205348
N-[4-[2-(2-nitrophenoxy)propanoylamino]phenyl]benzamide
CID 17235413
(2S)-2-(2-nitrophenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 7819322
(2S)-N-(3-cyanophenyl)-2-(2-nitrophenoxy)propanamide
CID 7819136
N-[4-[acetyl(methyl)amino]phenyl]-2-(2-nitrophenoxy)propanamide
CID 4943664
2-(2-nitrophenoxy)-N-(4-propoxyphenyl)propanamide
CID 4943938
2-(2-nitrophenoxy)-N-(2,4,5-trichlorophenyl)propanamide
CID 4943784

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3,4-dimethylphenyl)-2-(2-nitrophenoxy)propanamide?
The IUPAC name of (2R)-N-(3,4-dimethylphenyl)-2-(2-nitrophenoxy)propanamide (CID 9205295) is (2R)-N-(3,4-dimethylphenyl)-2-(2-nitrophenoxy)propanamide.
What is the SMILES notation for (2R)-N-(3,4-dimethylphenyl)-2-(2-nitrophenoxy)propanamide?
The canonical SMILES for (2R)-N-(3,4-dimethylphenyl)-2-(2-nitrophenoxy)propanamide is Cc1ccc(NC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])cc1C.
What is the InChIKey of (2R)-N-(3,4-dimethylphenyl)-2-(2-nitrophenoxy)propanamide?
The InChIKey is HYGODFCJLNIMQI-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-11-8-9-14(10-12(11)2)18-17(20)13(3)23-16-7-5-4-6-15(16)19(21)22/h4-10,13H,1-3H3,(H,18,20)/t13-/m1/s1.
What are the key properties of (2R)-N-(3,4-dimethylphenyl)-2-(2-nitrophenoxy)propanamide?
(2R)-N-(3,4-dimethylphenyl)-2-(2-nitrophenoxy)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)-N-(3,4-dimethylphenyl)-2-(2-nitrophenoxy)propanamide is sourced from PubChem (CID 9205295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).