2-[(2-nitrophenyl)methylamino]-N-(oxan-4-yl)acetamide

C14H19N3O4 — CID 63099902

IUPAC2-[(2-nitrophenyl)methylamino]-N-(oxan-4-yl)acetamide
SMILESO=C(CNCc1ccccc1[N+](=O)[O-])NC1CCOCC1
InChIInChI=1S/C14H19N3O4/c18-14(16-12-5-7-21-8-6-12)10-15-9-11-3-1-2-4-13(11)17(19)20/h1-4,12,15H,5-10H2,(H,16,18)
InChIKeyVWIFNYXUQWKMES-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.98
Rot. Bonds6

About 2-[(2-nitrophenyl)methylamino]-N-(oxan-4-yl)acetamide

2-[(2-nitrophenyl)methylamino]-N-(oxan-4-yl)acetamide (PubChem CID 63099902) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[(2-nitrophenyl)methylamino]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[(2-nitrophenyl)methylamino]-N-(oxan-4-yl)acetamide
PubChem CID63099902
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-[(2-nitrophenyl)methylamino]-N-(oxan-4-yl)acetamide
SMILESO=C(CNCc1ccccc1[N+](=O)[O-])NC1CCOCC1
InChIInChI=1S/C14H19N3O4/c18-14(16-12-5-7-21-8-6-12)10-15-9-11-3-1-2-4-13(11)17(19)20/h1-4,12,15H,5-10H2,(H,16,18)
InChIKeyVWIFNYXUQWKMES-UHFFFAOYSA-N
XLogP0.98
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.98
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-nitrophenyl)methylamino]-N-(oxan-4-yl)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

N-cyclopropyl-2-[(2-fluoro-3-nitrophenyl)methylamino]acetamide
CID 107348962
2-[(3-nitrophenyl)methylamino]-N-(oxan-4-yl)acetamide
CID 63098869
2-(2-nitrophenyl)-N-(1-phenylpiperidin-4-yl)acetamide
CID 60566297
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(2-nitrophenyl)acetamide
CID 16606697
2-methylidene-N-[(2-nitrophenyl)methyl]butan-1-amine
CID 66043777
N-[(2-nitrophenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103901284
4-[[(2-nitrophenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 5057635
N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(2-nitrophenyl)acetamide
CID 94795717
2-[(4-bromophenyl)methylamino]-N-(oxan-4-yl)acetamide
CID 63099192
2-[(4-chlorophenyl)methylamino]-N-(oxan-4-yl)acetamide
CID 63099718
2-[(3-fluorophenyl)methylamino]-N-(oxan-4-yl)acetamide
CID 63100231
2-nitro-6-[(oxan-4-ylamino)methyl]benzoic acid
CID 103239330

Frequently Asked Questions

What is the IUPAC name of 2-[(2-nitrophenyl)methylamino]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[(2-nitrophenyl)methylamino]-N-(oxan-4-yl)acetamide (CID 63099902) is 2-[(2-nitrophenyl)methylamino]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[(2-nitrophenyl)methylamino]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[(2-nitrophenyl)methylamino]-N-(oxan-4-yl)acetamide is O=C(CNCc1ccccc1[N+](=O)[O-])NC1CCOCC1.
What is the InChIKey of 2-[(2-nitrophenyl)methylamino]-N-(oxan-4-yl)acetamide?
The InChIKey is VWIFNYXUQWKMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c18-14(16-12-5-7-21-8-6-12)10-15-9-11-3-1-2-4-13(11)17(19)20/h1-4,12,15H,5-10H2,(H,16,18).
What are the key properties of 2-[(2-nitrophenyl)methylamino]-N-(oxan-4-yl)acetamide?
2-[(2-nitrophenyl)methylamino]-N-(oxan-4-yl)acetamide has a molecular weight of 293.32 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-nitrophenyl)methylamino]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 63099902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).