N-(2-methyl-4-nitrophenyl)-2-phenoxypropanamide

C16H16N2O4 — CID 2856698

IUPACN-(2-methyl-4-nitrophenyl)-2-phenoxypropanamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)C(C)Oc1ccccc1
InChIInChI=1S/C16H16N2O4/c1-11-10-13(18(20)21)8-9-15(11)17-16(19)12(2)22-14-6-4-3-5-7-14/h3-10,12H,1-2H3,(H,17,19)
InChIKeyZIMDKXQUCGFQDV-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.31
Rot. Bonds5

About N-(2-methyl-4-nitrophenyl)-2-phenoxypropanamide

N-(2-methyl-4-nitrophenyl)-2-phenoxypropanamide (PubChem CID 2856698) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is N-(2-methyl-4-nitrophenyl)-2-phenoxypropanamide.

Molecular Properties

Compound NameN-(2-methyl-4-nitrophenyl)-2-phenoxypropanamide
PubChem CID2856698
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC NameN-(2-methyl-4-nitrophenyl)-2-phenoxypropanamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)C(C)Oc1ccccc1
InChIInChI=1S/C16H16N2O4/c1-11-10-13(18(20)21)8-9-15(11)17-16(19)12(2)22-14-6-4-3-5-7-14/h3-10,12H,1-2H3,(H,17,19)
InChIKeyZIMDKXQUCGFQDV-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
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'}

Analyze N-(2-methyl-4-nitrophenyl)-2-phenoxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-nitrophenyl)-2-phenoxypropanamide?
The IUPAC name of N-(2-methyl-4-nitrophenyl)-2-phenoxypropanamide (CID 2856698) is N-(2-methyl-4-nitrophenyl)-2-phenoxypropanamide.
What is the SMILES notation for N-(2-methyl-4-nitrophenyl)-2-phenoxypropanamide?
The canonical SMILES for N-(2-methyl-4-nitrophenyl)-2-phenoxypropanamide is Cc1cc([N+](=O)[O-])ccc1NC(=O)C(C)Oc1ccccc1.
What is the InChIKey of N-(2-methyl-4-nitrophenyl)-2-phenoxypropanamide?
The InChIKey is ZIMDKXQUCGFQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-11-10-13(18(20)21)8-9-15(11)17-16(19)12(2)22-14-6-4-3-5-7-14/h3-10,12H,1-2H3,(H,17,19).
What are the key properties of N-(2-methyl-4-nitrophenyl)-2-phenoxypropanamide?
N-(2-methyl-4-nitrophenyl)-2-phenoxypropanamide has a molecular weight of 300.31 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-nitrophenyl)-2-phenoxypropanamide is sourced from PubChem (CID 2856698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).