2-(3-methyl-4-nitrophenoxy)-N-[(2-methylphenyl)methyl]acetamide

C17H18N2O4 — CID 51216495

IUPAC2-(3-methyl-4-nitrophenoxy)-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CNC(=O)COc1ccc([N+](=O)[O-])c(C)c1
InChIInChI=1S/C17H18N2O4/c1-12-5-3-4-6-14(12)10-18-17(20)11-23-15-7-8-16(19(21)22)13(2)9-15/h3-9H,10-11H2,1-2H3,(H,18,20)
InChIKeyNUQIRRQJSMXHEM-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.91
Rot. Bonds6

About 2-(3-methyl-4-nitrophenoxy)-N-[(2-methylphenyl)methyl]acetamide

2-(3-methyl-4-nitrophenoxy)-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 51216495) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-(3-methyl-4-nitrophenoxy)-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-methyl-4-nitrophenoxy)-N-[(2-methylphenyl)methyl]acetamide
PubChem CID51216495
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name2-(3-methyl-4-nitrophenoxy)-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CNC(=O)COc1ccc([N+](=O)[O-])c(C)c1
InChIInChI=1S/C17H18N2O4/c1-12-5-3-4-6-14(12)10-18-17(20)11-23-15-7-8-16(19(21)22)13(2)9-15/h3-9H,10-11H2,1-2H3,(H,18,20)
InChIKeyNUQIRRQJSMXHEM-UHFFFAOYSA-N
XLogP2.91
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.91
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-[(2-fluorophenyl)methyl]-2-(3-methyl-4-nitrophenoxy)acetamide
CID 8648197
2-(3-methyl-4-nitrophenoxy)-1-(2-methylphenyl)ethanone
CID 60973116
2-(3-methyl-4-nitrophenoxy)acetohydrazide
CID 2063569
3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]propanoic acid
CID 53264025
2-(3-methyl-4-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 31880526
N-tert-butyl-2-(3-methyl-4-nitrophenoxy)acetamide
CID 1406792
2-(3-methyl-4-nitrophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 31880593
2-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]-N-propylacetamide
CID 8648040
2-(3-methyl-4-nitrophenoxy)-N-(3-phenylsulfanylpropyl)acetamide
CID 8648025
2-(3-methyl-4-nitrophenoxy)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide
CID 154755494
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-methyl-4-nitrophenoxy)acetamide
CID 8648147
(2S)-2-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]-N-propylpropanamide
CID 8648080

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-nitrophenoxy)-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(3-methyl-4-nitrophenoxy)-N-[(2-methylphenyl)methyl]acetamide (CID 51216495) is 2-(3-methyl-4-nitrophenoxy)-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-methyl-4-nitrophenoxy)-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(3-methyl-4-nitrophenoxy)-N-[(2-methylphenyl)methyl]acetamide is Cc1ccccc1CNC(=O)COc1ccc([N+](=O)[O-])c(C)c1.
What is the InChIKey of 2-(3-methyl-4-nitrophenoxy)-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is NUQIRRQJSMXHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-12-5-3-4-6-14(12)10-18-17(20)11-23-15-7-8-16(19(21)22)13(2)9-15/h3-9H,10-11H2,1-2H3,(H,18,20).
What are the key properties of 2-(3-methyl-4-nitrophenoxy)-N-[(2-methylphenyl)methyl]acetamide?
2-(3-methyl-4-nitrophenoxy)-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 314.34 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-nitrophenoxy)-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 51216495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).