2-(3,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide

C17H18N2O4 — CID 926865

IUPAC2-(3,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1
InChIInChI=1S/C17H18N2O4/c1-11-6-12(2)8-15(7-11)23-10-17(20)18-16-9-14(19(21)22)5-4-13(16)3/h4-9H,10H2,1-3H3,(H,18,20)
InChIKeyUTMIHHPPBDTMPC-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.54
Rot. Bonds5

About 2-(3,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide

2-(3,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide (PubChem CID 926865) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
PubChem CID926865
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name2-(3,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1
InChIInChI=1S/C17H18N2O4/c1-11-6-12(2)8-15(7-11)23-10-17(20)18-16-9-14(19(21)22)5-4-13(16)3/h4-9H,10H2,1-3H3,(H,18,20)
InChIKeyUTMIHHPPBDTMPC-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-5-nitrophenyl)-2-(4-methylphenoxy)acetamide
CID 695153
2-(3,5-dimethylphenoxy)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 17342415
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 918188
2-(4-iodophenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 55326089
N-(2-bromo-4-nitrophenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 19173082
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-(3,5-dimethylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 679981
N-(2-methyl-5-nitrophenyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 19176000
2-(4-butan-2-ylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 4959294
2-(3,5-dimethylphenoxy)-N-(3-nitrophenyl)acetamide
CID 926852
2-(4-chloro-2-methylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 720864

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide (CID 926865) is 2-(3,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide is Cc1cc(C)cc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide?
The InChIKey is UTMIHHPPBDTMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-11-6-12(2)8-15(7-11)23-10-17(20)18-16-9-14(19(21)22)5-4-13(16)3/h4-9H,10H2,1-3H3,(H,18,20).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide?
2-(3,5-dimethylphenoxy)-N-(2-methyl-5-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-(3,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide is sourced from PubChem (CID 926865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).