2-(3,4-dimethylphenoxy)-N-(2-methyl-3-nitrophenyl)acetamide

C17H18N2O4 — CID 2991740

IUPAC2-(3,4-dimethylphenoxy)-N-(2-methyl-3-nitrophenyl)acetamide
SMILESCc1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C
InChIInChI=1S/C17H18N2O4/c1-11-7-8-14(9-12(11)2)23-10-17(20)18-15-5-4-6-16(13(15)3)19(21)22/h4-9H,10H2,1-3H3,(H,18,20)
InChIKeyRYSGHVKXKXWXOL-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.54
Rot. Bonds5

About 2-(3,4-dimethylphenoxy)-N-(2-methyl-3-nitrophenyl)acetamide

2-(3,4-dimethylphenoxy)-N-(2-methyl-3-nitrophenyl)acetamide (PubChem CID 2991740) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-(2-methyl-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-(2-methyl-3-nitrophenyl)acetamide
PubChem CID2991740
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name2-(3,4-dimethylphenoxy)-N-(2-methyl-3-nitrophenyl)acetamide
SMILESCc1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C
InChIInChI=1S/C17H18N2O4/c1-11-7-8-14(9-12(11)2)23-10-17(20)18-15-5-4-6-16(13(15)3)19(21)22/h4-9H,10H2,1-3H3,(H,18,20)
InChIKeyRYSGHVKXKXWXOL-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
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-methyl-3-nitrophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632166
4-[2-(2-methyl-3-nitroanilino)-2-oxoethoxy]benzamide
CID 31732776
N-(3-acetamido-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 134019332
N-(2,3-dimethylphenyl)-2-(3-methoxy-4-nitrophenoxy)acetamide
CID 30156711
N-(2-methyl-3-nitrophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 9393928
N-(2-methyl-3-nitrophenyl)-2-(4-propanoylphenoxy)acetamide
CID 18190903
3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-2-methylbenzoic acid
CID 40910613
2-(3-methylphenoxy)-N-(2-nitrophenyl)acetamide
CID 4531468
[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 8924023
2-(3-methoxy-4-nitrophenoxy)-N-(2-methylphenyl)acetamide
CID 30156679
2-[4-[ethyl(methylsulfonyl)amino]phenoxy]-N-(2-methyl-3-nitrophenyl)acetamide
CID 92649068
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(2-methyl-3-nitrophenyl)acetamide
CID 3962831

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-(2-methyl-3-nitrophenyl)acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-(2-methyl-3-nitrophenyl)acetamide (CID 2991740) is 2-(3,4-dimethylphenoxy)-N-(2-methyl-3-nitrophenyl)acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-(2-methyl-3-nitrophenyl)acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-(2-methyl-3-nitrophenyl)acetamide is Cc1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-(2-methyl-3-nitrophenyl)acetamide?
The InChIKey is RYSGHVKXKXWXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-11-7-8-14(9-12(11)2)23-10-17(20)18-15-5-4-6-16(13(15)3)19(21)22/h4-9H,10H2,1-3H3,(H,18,20).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-(2-methyl-3-nitrophenyl)acetamide?
2-(3,4-dimethylphenoxy)-N-(2-methyl-3-nitrophenyl)acetamide has a molecular weight of 314.34 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-(2-methyl-3-nitrophenyl)acetamide is sourced from PubChem (CID 2991740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).