N-[(4-methoxyphenyl)methyl]-2-(2-nitrophenyl)acetamide

C16H16N2O4 — CID 743835

IUPACN-[(4-methoxyphenyl)methyl]-2-(2-nitrophenyl)acetamide
SMILESCOc1ccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H16N2O4/c1-22-14-8-6-12(7-9-14)11-17-16(19)10-13-4-2-3-5-15(13)18(20)21/h2-9H,10-11H2,1H3,(H,17,19)
InChIKeyYIEPZUATEHKNDZ-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.46
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-2-(2-nitrophenyl)acetamide

N-[(4-methoxyphenyl)methyl]-2-(2-nitrophenyl)acetamide (PubChem CID 743835) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-(2-nitrophenyl)acetamide
PubChem CID743835
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-(2-nitrophenyl)acetamide
SMILESCOc1ccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H16N2O4/c1-22-14-8-6-12(7-9-14)11-17-16(19)10-13-4-2-3-5-15(13)18(20)21/h2-9H,10-11H2,1H3,(H,17,19)
InChIKeyYIEPZUATEHKNDZ-UHFFFAOYSA-N
XLogP2.46
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.46
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-[(4-methoxyphenyl)methyl]-2-(2-nitrophenyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-nitrophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 92672267
N-[(4-methoxyphenyl)methyl]-2-(2-nitrophenoxy)acetamide
CID 2500657
N-[(4-aminophenyl)methyl]-2-(2-nitrophenyl)acetamide
CID 116649980
2-(3-methoxyphenyl)-N-[(2-nitrophenyl)methyl]acetamide
CID 87004950
2-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 2544461
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
methyl 2-methoxy-5-[[[2-(2-nitrophenyl)acetyl]amino]methyl]benzoate
CID 27817613
N-[(2-methoxy-4-pyridinyl)methyl]-2-(2-nitrophenyl)acetamide
CID 18155549
N-[[2-(methoxymethyl)phenyl]methyl]-2-(2-nitrophenyl)acetamide
CID 32602817
N-[1-(4-methoxyphenyl)propyl]-2-(2-nitrophenyl)acetamide
CID 51187449
[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-nitrobenzoate
CID 18075857
N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-(2-nitrophenyl)acetamide
CID 43907892

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(2-nitrophenyl)acetamide (CID 743835) is N-[(4-methoxyphenyl)methyl]-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-(2-nitrophenyl)acetamide is COc1ccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-(2-nitrophenyl)acetamide?
The InChIKey is YIEPZUATEHKNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-22-14-8-6-12(7-9-14)11-17-16(19)10-13-4-2-3-5-15(13)18(20)21/h2-9H,10-11H2,1H3,(H,17,19).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-(2-nitrophenyl)acetamide?
N-[(4-methoxyphenyl)methyl]-2-(2-nitrophenyl)acetamide has a molecular weight of 300.31 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 743835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).