2-(3-methylazetidin-3-yl)oxy-N-(2-methyl-4-nitrophenyl)acetamide

C13H17N3O4 — CID 102655811

IUPAC2-(3-methylazetidin-3-yl)oxy-N-(2-methyl-4-nitrophenyl)acetamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)COC1(C)CNC1
InChIInChI=1S/C13H17N3O4/c1-9-5-10(16(18)19)3-4-11(9)15-12(17)6-20-13(2)7-14-8-13/h3-5,14H,6-8H2,1-2H3,(H,15,17)
InChIKeyCUZIWZHTKVYSFR-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.22
Rot. Bonds5

About 2-(3-methylazetidin-3-yl)oxy-N-(2-methyl-4-nitrophenyl)acetamide

2-(3-methylazetidin-3-yl)oxy-N-(2-methyl-4-nitrophenyl)acetamide (PubChem CID 102655811) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-(3-methylazetidin-3-yl)oxy-N-(2-methyl-4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(3-methylazetidin-3-yl)oxy-N-(2-methyl-4-nitrophenyl)acetamide
PubChem CID102655811
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name2-(3-methylazetidin-3-yl)oxy-N-(2-methyl-4-nitrophenyl)acetamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)COC1(C)CNC1
InChIInChI=1S/C13H17N3O4/c1-9-5-10(16(18)19)3-4-11(9)15-12(17)6-20-13(2)7-14-8-13/h3-5,14H,6-8H2,1-2H3,(H,15,17)
InChIKeyCUZIWZHTKVYSFR-UHFFFAOYSA-N
XLogP1.22
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-bromo-4-nitrophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102655824
2-(3-methylazetidin-3-yl)oxy-N-(4-methyl-3-nitrophenyl)acetamide
CID 102610693
N-(2-methyl-4-nitrophenyl)-2-piperidin-4-yloxyacetamide
CID 63876721
2-(2-methyl-4-nitrophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 19237188
1-O-methyl 4-O-[2-(2-methyl-4-nitroanilino)-2-oxoethyl] benzene-1,4-dicarboxylate
CID 18085476
N-(5-iodo-2-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 114257326
trans-[2-(2-methyl-4-nitroanilino)-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 8019633
2-(2,4-dimethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 3477288
methyl 4-methyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzoate
CID 102610803
N-(4-bromo-5-fluoro-2-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656627
N-(2,4-dimethylphenyl)-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406594
methyl 4-(2-methyl-4-nitroanilino)-4-oxobutanoate
CID 2844064

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylazetidin-3-yl)oxy-N-(2-methyl-4-nitrophenyl)acetamide?
The IUPAC name of 2-(3-methylazetidin-3-yl)oxy-N-(2-methyl-4-nitrophenyl)acetamide (CID 102655811) is 2-(3-methylazetidin-3-yl)oxy-N-(2-methyl-4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(3-methylazetidin-3-yl)oxy-N-(2-methyl-4-nitrophenyl)acetamide?
The canonical SMILES for 2-(3-methylazetidin-3-yl)oxy-N-(2-methyl-4-nitrophenyl)acetamide is Cc1cc([N+](=O)[O-])ccc1NC(=O)COC1(C)CNC1.
What is the InChIKey of 2-(3-methylazetidin-3-yl)oxy-N-(2-methyl-4-nitrophenyl)acetamide?
The InChIKey is CUZIWZHTKVYSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-9-5-10(16(18)19)3-4-11(9)15-12(17)6-20-13(2)7-14-8-13/h3-5,14H,6-8H2,1-2H3,(H,15,17).
What are the key properties of 2-(3-methylazetidin-3-yl)oxy-N-(2-methyl-4-nitrophenyl)acetamide?
2-(3-methylazetidin-3-yl)oxy-N-(2-methyl-4-nitrophenyl)acetamide has a molecular weight of 279.30 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylazetidin-3-yl)oxy-N-(2-methyl-4-nitrophenyl)acetamide is sourced from PubChem (CID 102655811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).