N-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)acetamide

C16H16N2O4 — CID 695153

IUPACN-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1
InChIInChI=1S/C16H16N2O4/c1-11-3-7-14(8-4-11)22-10-16(19)17-15-9-13(18(20)21)6-5-12(15)2/h3-9H,10H2,1-2H3,(H,17,19)
InChIKeyCITCJWUSRZYWMK-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.23
Rot. Bonds5

About N-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)acetamide

N-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)acetamide (PubChem CID 695153) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is N-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)acetamide
PubChem CID695153
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC NameN-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1
InChIInChI=1S/C16H16N2O4/c1-11-3-7-14(8-4-11)22-10-16(19)17-15-9-13(18(20)21)6-5-12(15)2/h3-9H,10H2,1-2H3,(H,17,19)
InChIKeyCITCJWUSRZYWMK-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
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-iodophenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 55326089
2-(3,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 926865
methyl 4-[2-(2-methyl-5-nitroanilino)-2-oxoethoxy]benzoate
CID 7965140
2-(4-chloro-3-methylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 883750
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 918188
2-(4-butan-2-ylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 4959294
[2-(2-methyl-5-nitroanilino)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 7855424
N-(2-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2787243
2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-(2-methyl-5-nitrophenyl)acetamide
CID 3879058
N-(2-methyl-5-nitrophenyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 19176000
2-(4-ethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 3389799
2-(3,5-dimethylphenoxy)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 17342415

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)acetamide (CID 695153) is N-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1.
What is the InChIKey of N-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)acetamide?
The InChIKey is CITCJWUSRZYWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-11-3-7-14(8-4-11)22-10-16(19)17-15-9-13(18(20)21)6-5-12(15)2/h3-9H,10H2,1-2H3,(H,17,19).
What are the key properties of N-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)acetamide?
N-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)acetamide has a molecular weight of 300.31 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 695153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).