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

C16H16N2O4 — CID 926852

IUPAC2-(3,5-dimethylphenoxy)-N-(3-nitrophenyl)acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C16H16N2O4/c1-11-6-12(2)8-15(7-11)22-10-16(19)17-13-4-3-5-14(9-13)18(20)21/h3-9H,10H2,1-2H3,(H,17,19)
InChIKeyODEJXNBHQAMTJW-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.23
Rot. Bonds5

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

2-(3,5-dimethylphenoxy)-N-(3-nitrophenyl)acetamide (PubChem CID 926852) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-(3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-(3-nitrophenyl)acetamide
PubChem CID926852
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name2-(3,5-dimethylphenoxy)-N-(3-nitrophenyl)acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C16H16N2O4/c1-11-6-12(2)8-15(7-11)22-10-16(19)17-13-4-3-5-14(9-13)18(20)21/h3-9H,10H2,1-2H3,(H,17,19)
InChIKeyODEJXNBHQAMTJW-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-methoxyphenoxy)-N-(3-nitrophenyl)acetamide
CID 690203
N-(3-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 877748
N-(3-nitrophenyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 7965634
2-(3,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 926865
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(3-nitrophenyl)acetamide
CID 918526
2-(3,5-dimethylphenoxy)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 17342415
2-(2-chloro-6-methylphenoxy)-N-(3-nitrophenyl)acetamide
CID 38113149
[2-(3-nitroanilino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate
CID 7167500
[2-(3-nitroanilino)-2-oxoethyl] 4-methylbenzoate
CID 2506640
2-(3-nitrophenoxy)-N-(3-phenoxyphenyl)acetamide
CID 51480450
N-(2-bromo-4-nitrophenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 19173082
2-[[2-(4-bromophenoxy)acetyl]amino]-N-(3-nitrophenyl)acetamide
CID 71696136

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-(3-nitrophenyl)acetamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-(3-nitrophenyl)acetamide (CID 926852) is 2-(3,5-dimethylphenoxy)-N-(3-nitrophenyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-(3-nitrophenyl)acetamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-(3-nitrophenyl)acetamide is Cc1cc(C)cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-(3-nitrophenyl)acetamide?
The InChIKey is ODEJXNBHQAMTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-11-6-12(2)8-15(7-11)22-10-16(19)17-13-4-3-5-14(9-13)18(20)21/h3-9H,10H2,1-2H3,(H,17,19).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-(3-nitrophenyl)acetamide?
2-(3,5-dimethylphenoxy)-N-(3-nitrophenyl)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 2-(3,5-dimethylphenoxy)-N-(3-nitrophenyl)acetamide is sourced from PubChem (CID 926852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).