N-(4-methoxyphenyl)-2-(8-nitronaphthalen-1-yl)acetamide

C19H16N2O4 — CID 10042619

IUPACN-(4-methoxyphenyl)-2-(8-nitronaphthalen-1-yl)acetamide
SMILESCOc1ccc(NC(=O)Cc2cccc3cccc([N+](=O)[O-])c23)cc1
InChIInChI=1S/C19H16N2O4/c1-25-16-10-8-15(9-11-16)20-18(22)12-14-6-2-4-13-5-3-7-17(19(13)14)21(23)24/h2-11H,12H2,1H3,(H,20,22)
InChIKeyXYAZDXHWRAPJSI-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.94
Rot. Bonds5

About N-(4-methoxyphenyl)-2-(8-nitronaphthalen-1-yl)acetamide

N-(4-methoxyphenyl)-2-(8-nitronaphthalen-1-yl)acetamide (PubChem CID 10042619) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(8-nitronaphthalen-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(8-nitronaphthalen-1-yl)acetamide
PubChem CID10042619
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC NameN-(4-methoxyphenyl)-2-(8-nitronaphthalen-1-yl)acetamide
SMILESCOc1ccc(NC(=O)Cc2cccc3cccc([N+](=O)[O-])c23)cc1
InChIInChI=1S/C19H16N2O4/c1-25-16-10-8-15(9-11-16)20-18(22)12-14-6-2-4-13-5-3-7-17(19(13)14)21(23)24/h2-11H,12H2,1H3,(H,20,22)
InChIKeyXYAZDXHWRAPJSI-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

2-(2,4-dinitrophenyl)-N-(4-methoxyphenyl)acetamide
CID 4629043
1-(4-methoxyphenyl)-2-[(2-nitrophenyl)methyl]guanidine
CID 111045160
N-(4-methoxyphenyl)-2-(2-methylphenyl)acetamide
CID 6467093
N-(4-methoxyphenyl)-2-methyl-6-nitrobenzamide
CID 18174615
N-[(4-methoxyphenyl)methyl]-2-(2-nitrophenyl)acetamide
CID 743835
2-(2-bromophenyl)-N-(4-methoxyphenyl)acetamide
CID 51057355
1-ethyl-3-(4-methoxyphenyl)-1-[(2-nitrophenyl)methyl]urea
CID 47028230
N-(4-methylsulfonylphenyl)-2-(2-nitrophenyl)acetamide
CID 51154622
N-(4-methoxyphenyl)-2-[methyl-[2-(3-nitroanilino)-2-oxoethyl]amino]acetamide
CID 2658350
N-(4-methoxy-2-nitrophenyl)-2-(2-methoxyphenyl)acetamide
CID 3375188
N-[1-(4-methoxyphenyl)propyl]-2-(2-nitrophenyl)acetamide
CID 51187449
1-(4-methoxyphenyl)-3-[8-[(4-methoxyphenyl)carbamoylamino]naphthalen-1-yl]urea
CID 102497884

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(8-nitronaphthalen-1-yl)acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(8-nitronaphthalen-1-yl)acetamide (CID 10042619) is N-(4-methoxyphenyl)-2-(8-nitronaphthalen-1-yl)acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(8-nitronaphthalen-1-yl)acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(8-nitronaphthalen-1-yl)acetamide is COc1ccc(NC(=O)Cc2cccc3cccc([N+](=O)[O-])c23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(8-nitronaphthalen-1-yl)acetamide?
The InChIKey is XYAZDXHWRAPJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-25-16-10-8-15(9-11-16)20-18(22)12-14-6-2-4-13-5-3-7-17(19(13)14)21(23)24/h2-11H,12H2,1H3,(H,20,22).
What are the key properties of N-(4-methoxyphenyl)-2-(8-nitronaphthalen-1-yl)acetamide?
N-(4-methoxyphenyl)-2-(8-nitronaphthalen-1-yl)acetamide 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-methoxyphenyl)-2-(8-nitronaphthalen-1-yl)acetamide is sourced from PubChem (CID 10042619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).