N-(4-methoxy-2-nitrophenyl)-2-naphthalen-2-ylacetamide

C19H16N2O4 — CID 16849665

IUPACN-(4-methoxy-2-nitrophenyl)-2-naphthalen-2-ylacetamide
SMILESCOc1ccc(NC(=O)Cc2ccc3ccccc3c2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H16N2O4/c1-25-16-8-9-17(18(12-16)21(23)24)20-19(22)11-13-6-7-14-4-2-3-5-15(14)10-13/h2-10,12H,11H2,1H3,(H,20,22)
InChIKeyOETZKMGZPYVZEA-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.94
Rot. Bonds5

About N-(4-methoxy-2-nitrophenyl)-2-naphthalen-2-ylacetamide

N-(4-methoxy-2-nitrophenyl)-2-naphthalen-2-ylacetamide (PubChem CID 16849665) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-(4-methoxy-2-nitrophenyl)-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-(4-methoxy-2-nitrophenyl)-2-naphthalen-2-ylacetamide
PubChem CID16849665
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC NameN-(4-methoxy-2-nitrophenyl)-2-naphthalen-2-ylacetamide
SMILESCOc1ccc(NC(=O)Cc2ccc3ccccc3c2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H16N2O4/c1-25-16-8-9-17(18(12-16)21(23)24)20-19(22)11-13-6-7-14-4-2-3-5-15(14)10-13/h2-10,12H,11H2,1H3,(H,20,22)
InChIKeyOETZKMGZPYVZEA-UHFFFAOYSA-N
XLogP3.94
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-phenylacetamide
CID 3101369
N-(4-methoxy-2-nitrophenyl)-2-(2-methoxyphenyl)acetamide
CID 3375188
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 9054049
N-(4-methoxy-2-nitrophenyl)-3-phenylsulfanylpropanamide
CID 2975810
2-(1-bromonaphthalen-2-yl)oxy-N-(4-methoxy-2-nitrophenyl)acetamide
CID 2960961
N-(4-methoxy-2-nitrophenyl)-2-nitrosoacetamide
CID 90848222
3-[3-(4-methoxy-2-nitroanilino)-3-oxopropyl]sulfanyl-N-(4-methoxy-2-nitrophenyl)propanamide
CID 5142693
[2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
CID 8671882
3-methoxy-N-(4-methoxy-2-nitrophenyl)naphthalene-2-carboxamide
CID 3539530
4-hydroxy-N-(4-methoxy-2-nitrophenyl)pentanamide
CID 79204847
3-amino-N-(4-methoxy-2-nitrophenyl)butanamide
CID 60835998
3-ethoxy-N-(4-methoxy-2-nitrophenyl)propanamide
CID 2975661

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-nitrophenyl)-2-naphthalen-2-ylacetamide?
The IUPAC name of N-(4-methoxy-2-nitrophenyl)-2-naphthalen-2-ylacetamide (CID 16849665) is N-(4-methoxy-2-nitrophenyl)-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-(4-methoxy-2-nitrophenyl)-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-(4-methoxy-2-nitrophenyl)-2-naphthalen-2-ylacetamide is COc1ccc(NC(=O)Cc2ccc3ccccc3c2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-methoxy-2-nitrophenyl)-2-naphthalen-2-ylacetamide?
The InChIKey is OETZKMGZPYVZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-25-16-8-9-17(18(12-16)21(23)24)20-19(22)11-13-6-7-14-4-2-3-5-15(14)10-13/h2-10,12H,11H2,1H3,(H,20,22).
What are the key properties of N-(4-methoxy-2-nitrophenyl)-2-naphthalen-2-ylacetamide?
N-(4-methoxy-2-nitrophenyl)-2-naphthalen-2-ylacetamide has a molecular weight of 336.35 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-nitrophenyl)-2-naphthalen-2-ylacetamide is sourced from PubChem (CID 16849665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).