2-(2-methyl-4-nitrophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide

C16H15N3O6 — CID 19237188

IUPAC2-(2-methyl-4-nitrophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc([N+](=O)[O-])cc1C
InChIInChI=1S/C16H15N3O6/c1-10-7-12(18(21)22)3-5-14(10)17-16(20)9-25-15-6-4-13(19(23)24)8-11(15)2/h3-8H,9H2,1-2H3,(H,17,20)
InChIKeyZPFVUMFMGJPJPQ-UHFFFAOYSA-N
MW345.31 g/mol
LogP3.14
Rot. Bonds6

About 2-(2-methyl-4-nitrophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide

2-(2-methyl-4-nitrophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide (PubChem CID 19237188) has the molecular formula C16H15N3O6 and a molecular weight of 345.31 g/mol. Its IUPAC name is 2-(2-methyl-4-nitrophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-4-nitrophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
PubChem CID19237188
Molecular FormulaC16H15N3O6
Molecular Weight345.31 g/mol
Exact Mass345.10
IUPAC Name2-(2-methyl-4-nitrophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc([N+](=O)[O-])cc1C
InChIInChI=1S/C16H15N3O6/c1-10-7-12(18(21)22)3-5-14(10)17-16(20)9-25-15-6-4-13(19(23)24)8-11(15)2/h3-8H,9H2,1-2H3,(H,17,20)
InChIKeyZPFVUMFMGJPJPQ-UHFFFAOYSA-N
XLogP3.14
TPSA124.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2,4-dimethylphenyl)-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406594
2-(2,4-dimethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 3477288
2-(2-methyl-4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 19237183
N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406721
2-(4-chloro-2-methylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 720864
2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 19202538
2-(4-ethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 3389799
N-tert-butyl-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406582
2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 17342420
N-(2-hydroxy-5-nitrophenyl)-2-(2,4,5-trimethylphenoxy)acetamide
CID 17342422
methyl 4-[[2-(2-methyl-4-nitrophenoxy)acetyl]amino]benzoate
CID 1406620
2-(2,4-dibromo-6-methylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 4503873

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-nitrophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide?
The IUPAC name of 2-(2-methyl-4-nitrophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide (CID 19237188) is 2-(2-methyl-4-nitrophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2-methyl-4-nitrophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide?
The canonical SMILES for 2-(2-methyl-4-nitrophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide is Cc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc([N+](=O)[O-])cc1C.
What is the InChIKey of 2-(2-methyl-4-nitrophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide?
The InChIKey is ZPFVUMFMGJPJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O6/c1-10-7-12(18(21)22)3-5-14(10)17-16(20)9-25-15-6-4-13(19(23)24)8-11(15)2/h3-8H,9H2,1-2H3,(H,17,20).
What are the key properties of 2-(2-methyl-4-nitrophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide?
2-(2-methyl-4-nitrophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide has a molecular weight of 345.31 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-nitrophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide is sourced from PubChem (CID 19237188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).