N-(5-methoxy-2-methyl-4-nitrophenyl)-2-phenoxyacetamide

C16H16N2O5 — CID 7818239

IUPACN-(5-methoxy-2-methyl-4-nitrophenyl)-2-phenoxyacetamide
SMILESCOc1cc(NC(=O)COc2ccccc2)c(C)cc1[N+](=O)[O-]
InChIInChI=1S/C16H16N2O5/c1-11-8-14(18(20)21)15(22-2)9-13(11)17-16(19)10-23-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3,(H,17,19)
InChIKeyGKHAPQGFQBWPST-UHFFFAOYSA-N
MW316.31 g/mol
LogP2.93
Rot. Bonds6

About N-(5-methoxy-2-methyl-4-nitrophenyl)-2-phenoxyacetamide

N-(5-methoxy-2-methyl-4-nitrophenyl)-2-phenoxyacetamide (PubChem CID 7818239) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is N-(5-methoxy-2-methyl-4-nitrophenyl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(5-methoxy-2-methyl-4-nitrophenyl)-2-phenoxyacetamide
PubChem CID7818239
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC NameN-(5-methoxy-2-methyl-4-nitrophenyl)-2-phenoxyacetamide
SMILESCOc1cc(NC(=O)COc2ccccc2)c(C)cc1[N+](=O)[O-]
InChIInChI=1S/C16H16N2O5/c1-11-8-14(18(20)21)15(22-2)9-13(11)17-16(19)10-23-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3,(H,17,19)
InChIKeyGKHAPQGFQBWPST-UHFFFAOYSA-N
XLogP2.93
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.93
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-(5-methoxy-2-methyl-4-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 4879284
2-(3-methoxy-4-nitrophenoxy)-N-(2-methylphenyl)acetamide
CID 30156679
2-(2-bromo-4-methylphenoxy)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide
CID 7949272
[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate
CID 4553049
[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 7571841
[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 2-(methylamino)benzoate
CID 4005338
[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate
CID 7773052
2-(3-methoxy-4-nitrophenoxy)-N-(2-phenoxyphenyl)acetamide
CID 48846843
[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate
CID 8526792
2-(2-chloroanilino)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide
CID 9098737
[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 2,3-dimethylbenzoate
CID 7968354
[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 4223376

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-2-methyl-4-nitrophenyl)-2-phenoxyacetamide?
The IUPAC name of N-(5-methoxy-2-methyl-4-nitrophenyl)-2-phenoxyacetamide (CID 7818239) is N-(5-methoxy-2-methyl-4-nitrophenyl)-2-phenoxyacetamide.
What is the SMILES notation for N-(5-methoxy-2-methyl-4-nitrophenyl)-2-phenoxyacetamide?
The canonical SMILES for N-(5-methoxy-2-methyl-4-nitrophenyl)-2-phenoxyacetamide is COc1cc(NC(=O)COc2ccccc2)c(C)cc1[N+](=O)[O-].
What is the InChIKey of N-(5-methoxy-2-methyl-4-nitrophenyl)-2-phenoxyacetamide?
The InChIKey is GKHAPQGFQBWPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5/c1-11-8-14(18(20)21)15(22-2)9-13(11)17-16(19)10-23-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3,(H,17,19).
What are the key properties of N-(5-methoxy-2-methyl-4-nitrophenyl)-2-phenoxyacetamide?
N-(5-methoxy-2-methyl-4-nitrophenyl)-2-phenoxyacetamide has a molecular weight of 316.31 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-2-methyl-4-nitrophenyl)-2-phenoxyacetamide is sourced from PubChem (CID 7818239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).