2-(2,6-dimethylphenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide

C17H18N2O5 — CID 19170502

IUPAC2-(2,6-dimethylphenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCOc1ccc(NC(=O)COc2c(C)cccc2C)c([N+](=O)[O-])c1
InChIInChI=1S/C17H18N2O5/c1-11-5-4-6-12(2)17(11)24-10-16(20)18-14-8-7-13(23-3)9-15(14)19(21)22/h4-9H,10H2,1-3H3,(H,18,20)
InChIKeyMSUSIDLQMNQIJO-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.24
Rot. Bonds6

About 2-(2,6-dimethylphenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide

2-(2,6-dimethylphenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide (PubChem CID 19170502) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide
PubChem CID19170502
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Name2-(2,6-dimethylphenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCOc1ccc(NC(=O)COc2c(C)cccc2C)c([N+](=O)[O-])c1
InChIInChI=1S/C17H18N2O5/c1-11-5-4-6-12(2)17(11)24-10-16(20)18-14-8-7-13(23-3)9-15(14)19(21)22/h4-9H,10H2,1-3H3,(H,18,20)
InChIKeyMSUSIDLQMNQIJO-UHFFFAOYSA-N
XLogP3.24
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
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-(4-methoxy-2-nitrophenyl)-2-(2,3,5-trimethylphenoxy)acetamide
CID 2935158
2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 18870453
2-(2-acetamidophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 7867384
N-(4-methoxy-2-nitrophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 2915919
N-[3-[2-(4-methoxy-2-nitroanilino)-2-oxoethoxy]phenyl]-2,2-dimethylpropanamide
CID 18870365
2-(1-bromonaphthalen-2-yl)oxy-N-(4-methoxy-2-nitrophenyl)acetamide
CID 2960961
N-(4-methoxy-2-nitrophenyl)-2-phenylacetamide
CID 3101369
N-(4-methoxy-2-nitrophenyl)-2-nitrosoacetamide
CID 90848222
[2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 2-hydroxybenzoate
CID 7798270
[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate
CID 4553049
2-(2-bromo-4-chlorophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 19202489
2-(2,6-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 835384

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide (CID 19170502) is 2-(2,6-dimethylphenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide is COc1ccc(NC(=O)COc2c(C)cccc2C)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide?
The InChIKey is MSUSIDLQMNQIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-11-5-4-6-12(2)17(11)24-10-16(20)18-14-8-7-13(23-3)9-15(14)19(21)22/h4-9H,10H2,1-3H3,(H,18,20).
What are the key properties of 2-(2,6-dimethylphenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide?
2-(2,6-dimethylphenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide has a molecular weight of 330.34 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide is sourced from PubChem (CID 19170502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).