2-(2-methoxy-5-nitroanilino)-N-(2-phenylethyl)acetamide

C17H19N3O4 — CID 33173643

IUPAC2-(2-methoxy-5-nitroanilino)-N-(2-phenylethyl)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NCC(=O)NCCc1ccccc1
InChIInChI=1S/C17H19N3O4/c1-24-16-8-7-14(20(22)23)11-15(16)19-12-17(21)18-10-9-13-5-3-2-4-6-13/h2-8,11,19H,9-10,12H2,1H3,(H,18,21)
InChIKeyLEGYGAZBRFQPLA-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.37
Rot. Bonds8

About 2-(2-methoxy-5-nitroanilino)-N-(2-phenylethyl)acetamide

2-(2-methoxy-5-nitroanilino)-N-(2-phenylethyl)acetamide (PubChem CID 33173643) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-(2-methoxy-5-nitroanilino)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(2-methoxy-5-nitroanilino)-N-(2-phenylethyl)acetamide
PubChem CID33173643
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name2-(2-methoxy-5-nitroanilino)-N-(2-phenylethyl)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NCC(=O)NCCc1ccccc1
InChIInChI=1S/C17H19N3O4/c1-24-16-8-7-14(20(22)23)11-15(16)19-12-17(21)18-10-9-13-5-3-2-4-6-13/h2-8,11,19H,9-10,12H2,1H3,(H,18,21)
InChIKeyLEGYGAZBRFQPLA-UHFFFAOYSA-N
XLogP2.37
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(2-methoxy-5-nitroanilino)-N-(2-phenylethyl)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-(5-chloro-2-methoxyanilino)-N-(2-phenylethyl)acetamide
CID 26417313
N-[(4-fluorophenyl)methyl]-2-(2-methoxy-5-nitroanilino)acetamide
CID 33173731
2-methoxy-4-nitro-N-(2-phenylethyl)aniline
CID 43425454
2-(2-methoxy-5-nitroanilino)-N-(propylcarbamoyl)acetamide
CID 33174069
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(2-methoxy-5-nitroanilino)acetamide
CID 33174022
N-[(2-methoxy-5-nitrophenyl)carbamothioyl]-3-phenylpropanamide
CID 1293209
2-(2-methoxy-5-nitroanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 26415999
[(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 2-methoxy-5-nitrobenzoate
CID 8994246
N-(3,5-dichlorophenyl)-2-(2-methoxy-5-nitroanilino)acetamide
CID 9079831
N-[2-(4-fluorophenyl)ethyl]-N'-(2-methoxy-5-nitrophenyl)oxamide
CID 108531966
2-(2,3-dimethylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9080810
N-[4-(cyanomethyl)phenyl]-2-(2-methoxy-5-nitroanilino)acetamide
CID 26505664

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-nitroanilino)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(2-methoxy-5-nitroanilino)-N-(2-phenylethyl)acetamide (CID 33173643) is 2-(2-methoxy-5-nitroanilino)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(2-methoxy-5-nitroanilino)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(2-methoxy-5-nitroanilino)-N-(2-phenylethyl)acetamide is COc1ccc([N+](=O)[O-])cc1NCC(=O)NCCc1ccccc1.
What is the InChIKey of 2-(2-methoxy-5-nitroanilino)-N-(2-phenylethyl)acetamide?
The InChIKey is LEGYGAZBRFQPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-24-16-8-7-14(20(22)23)11-15(16)19-12-17(21)18-10-9-13-5-3-2-4-6-13/h2-8,11,19H,9-10,12H2,1H3,(H,18,21).
What are the key properties of 2-(2-methoxy-5-nitroanilino)-N-(2-phenylethyl)acetamide?
2-(2-methoxy-5-nitroanilino)-N-(2-phenylethyl)acetamide has a molecular weight of 329.36 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-nitroanilino)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 33173643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).