2-(2-acetamidophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide

C17H17N3O6 — CID 7867384

IUPAC2-(2-acetamidophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCOc1ccc(NC(=O)COc2ccccc2NC(C)=O)c([N+](=O)[O-])c1
InChIInChI=1S/C17H17N3O6/c1-11(21)18-14-5-3-4-6-16(14)26-10-17(22)19-13-8-7-12(25-2)9-15(13)20(23)24/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyUFHSSBDVKSVHEU-UHFFFAOYSA-N
MW359.34 g/mol
LogP2.58
Rot. Bonds7

About 2-(2-acetamidophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide

2-(2-acetamidophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide (PubChem CID 7867384) has the molecular formula C17H17N3O6 and a molecular weight of 359.34 g/mol. Its IUPAC name is 2-(2-acetamidophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2-acetamidophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide
PubChem CID7867384
Molecular FormulaC17H17N3O6
Molecular Weight359.34 g/mol
Exact Mass359.11
IUPAC Name2-(2-acetamidophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCOc1ccc(NC(=O)COc2ccccc2NC(C)=O)c([N+](=O)[O-])c1
InChIInChI=1S/C17H17N3O6/c1-11(21)18-14-5-3-4-6-16(14)26-10-17(22)19-13-8-7-12(25-2)9-15(13)20(23)24/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyUFHSSBDVKSVHEU-UHFFFAOYSA-N
XLogP2.58
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-tert-butylphenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 35965088
2-(1-bromonaphthalen-2-yl)oxy-N-(4-methoxy-2-nitrophenyl)acetamide
CID 2960961
2-(2,6-dimethylphenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 19170502
N-(4-methoxy-2-nitrophenyl)-2-(2-methoxyphenyl)acetamide
CID 3375188
N-(4-methoxy-2-nitrophenyl)-2-(2,3,5-trimethylphenoxy)acetamide
CID 2935158
N-(4-methoxy-2-nitrophenyl)-2-phenylacetamide
CID 3101369
2-(2-bromo-4-chlorophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 19202489
N-(4-methoxy-2-nitrophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 2915919
N-(2,4-dichlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 78765457
2-(4-chloro-2-nitrophenoxy)-N-(2,4-dimethoxyphenyl)acetamide
CID 31728423
N-(3-acetamido-2-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 134019256
N-[3-[2-(4-methoxy-2-nitroanilino)-2-oxoethoxy]phenyl]-2,2-dimethylpropanamide
CID 18870365

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamidophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide?
The IUPAC name of 2-(2-acetamidophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide (CID 7867384) is 2-(2-acetamidophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2-acetamidophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide?
The canonical SMILES for 2-(2-acetamidophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide is COc1ccc(NC(=O)COc2ccccc2NC(C)=O)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(2-acetamidophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide?
The InChIKey is UFHSSBDVKSVHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O6/c1-11(21)18-14-5-3-4-6-16(14)26-10-17(22)19-13-8-7-12(25-2)9-15(13)20(23)24/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 2-(2-acetamidophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide?
2-(2-acetamidophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide has a molecular weight of 359.34 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamidophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide is sourced from PubChem (CID 7867384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).