N-(4-methoxy-2-nitrophenyl)-2-(4-propan-2-ylphenoxy)acetamide

C18H20N2O5 — CID 2915919

IUPACN-(4-methoxy-2-nitrophenyl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCOc1ccc(NC(=O)COc2ccc(C(C)C)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H20N2O5/c1-12(2)13-4-6-14(7-5-13)25-11-18(21)19-16-9-8-15(24-3)10-17(16)20(22)23/h4-10,12H,11H2,1-3H3,(H,19,21)
InChIKeyXNRKTJVXWZVYHT-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.74
Rot. Bonds7

About N-(4-methoxy-2-nitrophenyl)-2-(4-propan-2-ylphenoxy)acetamide

N-(4-methoxy-2-nitrophenyl)-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 2915919) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-(4-methoxy-2-nitrophenyl)-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-methoxy-2-nitrophenyl)-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID2915919
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC NameN-(4-methoxy-2-nitrophenyl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCOc1ccc(NC(=O)COc2ccc(C(C)C)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H20N2O5/c1-12(2)13-4-6-14(7-5-13)25-11-18(21)19-16-9-8-15(24-3)10-17(16)20(22)23/h4-10,12H,11H2,1-3H3,(H,19,21)
InChIKeyXNRKTJVXWZVYHT-UHFFFAOYSA-N
XLogP3.74
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.74
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

2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 18870453
2-(2,6-dimethylphenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 19170502
4-hydroxy-N-(4-methoxy-2-nitrophenyl)pentanamide
CID 79204847
3-amino-N-(4-methoxy-2-nitrophenyl)butanamide
CID 60835998
2-(2-acetamidophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 7867384
2-(2-bromo-4-chlorophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 19202489
N-(2-hydroxy-5-nitrophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 17342416
N-(4-methoxy-2-nitrophenyl)-2-(2,3,5-trimethylphenoxy)acetamide
CID 2935158
N-(4-ethoxy-2-nitrophenyl)-2-phenoxyacetamide
CID 2876934
[1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
CID 55416642
N-[3-[2-(4-methoxy-2-nitroanilino)-2-oxoethoxy]phenyl]-2,2-dimethylpropanamide
CID 18870365
N-(4-methoxy-2-nitrophenyl)-2-nitrosoacetamide
CID 90848222

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-nitrophenyl)-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(4-methoxy-2-nitrophenyl)-2-(4-propan-2-ylphenoxy)acetamide (CID 2915919) is N-(4-methoxy-2-nitrophenyl)-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(4-methoxy-2-nitrophenyl)-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(4-methoxy-2-nitrophenyl)-2-(4-propan-2-ylphenoxy)acetamide is COc1ccc(NC(=O)COc2ccc(C(C)C)cc2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-methoxy-2-nitrophenyl)-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is XNRKTJVXWZVYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-12(2)13-4-6-14(7-5-13)25-11-18(21)19-16-9-8-15(24-3)10-17(16)20(22)23/h4-10,12H,11H2,1-3H3,(H,19,21).
What are the key properties of N-(4-methoxy-2-nitrophenyl)-2-(4-propan-2-ylphenoxy)acetamide?
N-(4-methoxy-2-nitrophenyl)-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 344.37 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-nitrophenyl)-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 2915919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).