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

C16H16N2O4 — CID 7503574

IUPAC(2R)-N-(4-methylphenyl)-2-(2-nitrophenoxy)propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H16N2O4/c1-11-7-9-13(10-8-11)17-16(19)12(2)22-15-6-4-3-5-14(15)18(20)21/h3-10,12H,1-2H3,(H,17,19)/t12-/m1/s1
InChIKeyZGZOHRPRFUOPGN-GFCCVEGCSA-N
MW300.31 g/mol
LogP3.31
Rot. Bonds5

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

(2R)-N-(4-methylphenyl)-2-(2-nitrophenoxy)propanamide (PubChem CID 7503574) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is (2R)-N-(4-methylphenyl)-2-(2-nitrophenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(4-methylphenyl)-2-(2-nitrophenoxy)propanamide
PubChem CID7503574
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name(2R)-N-(4-methylphenyl)-2-(2-nitrophenoxy)propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H16N2O4/c1-11-7-9-13(10-8-11)17-16(19)12(2)22-15-6-4-3-5-14(15)18(20)21/h3-10,12H,1-2H3,(H,17,19)/t12-/m1/s1
InChIKeyZGZOHRPRFUOPGN-GFCCVEGCSA-N
XLogP3.31
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.31
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

N-(4-acetamidophenyl)-2-(2-nitrophenoxy)propanamide
CID 4810380
(2R)-N-(4-fluorophenyl)-2-(2-nitrophenoxy)propanamide
CID 7503743
N-(4-chlorophenyl)-2-(2-nitrophenoxy)propanamide
CID 4943658
(2R)-N-(4-iodophenyl)-2-(2-nitrophenoxy)propanamide
CID 9205324
(2R)-N-(3,4-dimethylphenyl)-2-(2-nitrophenoxy)propanamide
CID 9205295
N-[4-[2-(2-nitrophenoxy)propanoylamino]phenyl]benzamide
CID 17235413
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-[4-[9-[4-[2-(2-nitrophenoxy)propanoylamino]phenyl]fluoren-9-yl]phenyl]propanamide
CID 4944896
2-(2-nitrophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 4947557
(2S)-N-(4-chlorophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8562600
N-(2-methoxyethyl)-4-[2-(2-nitrophenoxy)propanoylamino]benzamide
CID 17218280

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-methylphenyl)-2-(2-nitrophenoxy)propanamide?
The IUPAC name of (2R)-N-(4-methylphenyl)-2-(2-nitrophenoxy)propanamide (CID 7503574) is (2R)-N-(4-methylphenyl)-2-(2-nitrophenoxy)propanamide.
What is the SMILES notation for (2R)-N-(4-methylphenyl)-2-(2-nitrophenoxy)propanamide?
The canonical SMILES for (2R)-N-(4-methylphenyl)-2-(2-nitrophenoxy)propanamide is Cc1ccc(NC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of (2R)-N-(4-methylphenyl)-2-(2-nitrophenoxy)propanamide?
The InChIKey is ZGZOHRPRFUOPGN-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-11-7-9-13(10-8-11)17-16(19)12(2)22-15-6-4-3-5-14(15)18(20)21/h3-10,12H,1-2H3,(H,17,19)/t12-/m1/s1.
What are the key properties of (2R)-N-(4-methylphenyl)-2-(2-nitrophenoxy)propanamide?
(2R)-N-(4-methylphenyl)-2-(2-nitrophenoxy)propanamide has a molecular weight of 300.31 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-methylphenyl)-2-(2-nitrophenoxy)propanamide is sourced from PubChem (CID 7503574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).