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

C16H16N2O5 — CID 17342415

IUPAC2-(3,5-dimethylphenoxy)-N-(2-hydroxy-5-nitrophenyl)acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2O)c1
InChIInChI=1S/C16H16N2O5/c1-10-5-11(2)7-13(6-10)23-9-16(20)17-14-8-12(18(21)22)3-4-15(14)19/h3-8,19H,9H2,1-2H3,(H,17,20)
InChIKeyAKEIKWXRIVSORN-UHFFFAOYSA-N
MW316.31 g/mol
LogP2.93
Rot. Bonds5

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

2-(3,5-dimethylphenoxy)-N-(2-hydroxy-5-nitrophenyl)acetamide (PubChem CID 17342415) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-(2-hydroxy-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-(2-hydroxy-5-nitrophenyl)acetamide
PubChem CID17342415
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name2-(3,5-dimethylphenoxy)-N-(2-hydroxy-5-nitrophenyl)acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2O)c1
InChIInChI=1S/C16H16N2O5/c1-10-5-11(2)7-13(6-10)23-9-16(20)17-14-8-12(18(21)22)3-4-15(14)19/h3-8,19H,9H2,1-2H3,(H,17,20)
InChIKeyAKEIKWXRIVSORN-UHFFFAOYSA-N
XLogP2.93
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 926865
N-(2-bromo-4-nitrophenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 19173082
N-(2-hydroxy-5-nitrophenyl)-2-(2,4,5-trimethylphenoxy)acetamide
CID 17342422
N-(2-hydroxy-5-nitrophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 17342416
2-(3,5-dimethylphenoxy)-N-(3-nitrophenyl)acetamide
CID 926852
N-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)acetamide
CID 695153
N-(2-hydroxy-5-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103944777
2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 17342420
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 918188
N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-2-phenoxyacetamide
CID 4629121
2-(4-iodophenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 55326089
2-bromo-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 4089912

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-(2-hydroxy-5-nitrophenyl)acetamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-(2-hydroxy-5-nitrophenyl)acetamide (CID 17342415) is 2-(3,5-dimethylphenoxy)-N-(2-hydroxy-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-(2-hydroxy-5-nitrophenyl)acetamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-(2-hydroxy-5-nitrophenyl)acetamide is Cc1cc(C)cc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2O)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-(2-hydroxy-5-nitrophenyl)acetamide?
The InChIKey is AKEIKWXRIVSORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5/c1-10-5-11(2)7-13(6-10)23-9-16(20)17-14-8-12(18(21)22)3-4-15(14)19/h3-8,19H,9H2,1-2H3,(H,17,20).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-(2-hydroxy-5-nitrophenyl)acetamide?
2-(3,5-dimethylphenoxy)-N-(2-hydroxy-5-nitrophenyl)acetamide has a molecular weight of 316.31 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-(2-hydroxy-5-nitrophenyl)acetamide is sourced from PubChem (CID 17342415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).