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

C16H16N2O4 — CID 2940358

IUPACN-(4-methoxy-2-nitrophenyl)-2-(4-methylphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cc2ccc(C)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H16N2O4/c1-11-3-5-12(6-4-11)9-16(19)17-14-8-7-13(22-2)10-15(14)18(20)21/h3-8,10H,9H2,1-2H3,(H,17,19)
InChIKeyHJYSOPCBZBOJHY-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.09
Rot. Bonds5

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

N-(4-methoxy-2-nitrophenyl)-2-(4-methylphenyl)acetamide (PubChem CID 2940358) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is N-(4-methoxy-2-nitrophenyl)-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-methoxy-2-nitrophenyl)-2-(4-methylphenyl)acetamide
PubChem CID2940358
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC NameN-(4-methoxy-2-nitrophenyl)-2-(4-methylphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cc2ccc(C)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H16N2O4/c1-11-3-5-12(6-4-11)9-16(19)17-14-8-7-13(22-2)10-15(14)18(20)21/h3-8,10H,9H2,1-2H3,(H,17,19)
InChIKeyHJYSOPCBZBOJHY-UHFFFAOYSA-N
XLogP3.09
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.09
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

Acetamide, N-(4-methoxy-2-nitrophenyl)-
CID 67075
N-(4-methoxy-2-nitrophenyl)benzamide
CID 274249
Butanamide, 2-[2-(4-methoxy-2-nitrophenyl)diazenyl]-N-(2-methylphenyl)-3-oxo-
CID 95091
N-(4-Methoxy-2-nitrophenyl)-2-(4-methylphenoxy)acetamide
CID 563135
N-(3-methoxyphenyl)-3-nitrobenzamide
CID 306640
4-(isopropylamino)-N-(3-methoxyphenyl)-3-nitrobenzamide
CID 25175299
N-(3-methoxyphenyl)-3-nitro-4-(propylamino)benzamide
CID 25175300
4-(ethylamino)-N-(3-methoxyphenyl)-3-nitrobenzamide
CID 25175301
N-(3-methoxyphenyl)-3-nitro-4-(phenylamino)benzamide
CID 25175303
1-Acetamido-4-benzyloxy-2-nitrobenzene
CID 265888
N-(2-methoxy-4-nitrophenyl)-2-phenylacetamide
CID 307332
4-chloro-N-(4-methoxy-2-nitrophenyl)benzamide
CID 2842616

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-nitrophenyl)-2-(4-methylphenyl)acetamide?
The IUPAC name of N-(4-methoxy-2-nitrophenyl)-2-(4-methylphenyl)acetamide (CID 2940358) is N-(4-methoxy-2-nitrophenyl)-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-(4-methoxy-2-nitrophenyl)-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-(4-methoxy-2-nitrophenyl)-2-(4-methylphenyl)acetamide is COc1ccc(NC(=O)Cc2ccc(C)cc2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-methoxy-2-nitrophenyl)-2-(4-methylphenyl)acetamide?
The InChIKey is HJYSOPCBZBOJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-11-3-5-12(6-4-11)9-16(19)17-14-8-7-13(22-2)10-15(14)18(20)21/h3-8,10H,9H2,1-2H3,(H,17,19).
What are the key properties of N-(4-methoxy-2-nitrophenyl)-2-(4-methylphenyl)acetamide?
N-(4-methoxy-2-nitrophenyl)-2-(4-methylphenyl)acetamide has a molecular weight of 300.31 g/mol, XLogP of 3.09, 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-(4-methylphenyl)acetamide is sourced from PubChem (CID 2940358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).