N-(2-methoxy-5-nitrophenyl)-2-(4-methylphenyl)acetamide

C16H16N2O4 — CID 891067

IUPACN-(2-methoxy-5-nitrophenyl)-2-(4-methylphenyl)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccc(C)cc1
InChIInChI=1S/C16H16N2O4/c1-11-3-5-12(6-4-11)9-16(19)17-14-10-13(18(20)21)7-8-15(14)22-2/h3-8,10H,9H2,1-2H3,(H,17,19)
InChIKeyNZMKLQXYBHLWQM-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.09
Rot. Bonds5

About N-(2-methoxy-5-nitrophenyl)-2-(4-methylphenyl)acetamide

N-(2-methoxy-5-nitrophenyl)-2-(4-methylphenyl)acetamide (PubChem CID 891067) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)-2-(4-methylphenyl)acetamide
PubChem CID891067
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC NameN-(2-methoxy-5-nitrophenyl)-2-(4-methylphenyl)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccc(C)cc1
InChIInChI=1S/C16H16N2O4/c1-11-3-5-12(6-4-11)9-16(19)17-14-10-13(18(20)21)7-8-15(14)22-2/h3-8,10H,9H2,1-2H3,(H,17,19)
InChIKeyNZMKLQXYBHLWQM-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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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-nitrophenyl)-2-(4-methylphenyl)acetamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)-2-(4-methylphenyl)acetamide (CID 891067) is N-(2-methoxy-5-nitrophenyl)-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)-2-(4-methylphenyl)acetamide is COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccc(C)cc1.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)-2-(4-methylphenyl)acetamide?
The InChIKey is NZMKLQXYBHLWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-11-3-5-12(6-4-11)9-16(19)17-14-10-13(18(20)21)7-8-15(14)22-2/h3-8,10H,9H2,1-2H3,(H,17,19).
What are the key properties of N-(2-methoxy-5-nitrophenyl)-2-(4-methylphenyl)acetamide?
N-(2-methoxy-5-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-(2-methoxy-5-nitrophenyl)-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 891067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).