2-[(2,4-dinitrophenoxy)methyl-hydroxyamino]acetamide

C9H10N4O7 — CID 87839607

IUPAC2-[(2,4-dinitrophenoxy)methyl-hydroxyamino]acetamide
SMILESNC(=O)CN(O)COc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C9H10N4O7/c10-9(14)4-11(15)5-20-8-2-1-6(12(16)17)3-7(8)13(18)19/h1-3,15H,4-5H2,(H2,10,14)
InChIKeyYRARCBMBLQTWJR-UHFFFAOYSA-N
MW286.20 g/mol
LogP0.02
Rot. Bonds7

About 2-[(2,4-dinitrophenoxy)methyl-hydroxyamino]acetamide

2-[(2,4-dinitrophenoxy)methyl-hydroxyamino]acetamide (PubChem CID 87839607) has the molecular formula C9H10N4O7 and a molecular weight of 286.20 g/mol. Its IUPAC name is 2-[(2,4-dinitrophenoxy)methyl-hydroxyamino]acetamide.

Molecular Properties

Compound Name2-[(2,4-dinitrophenoxy)methyl-hydroxyamino]acetamide
PubChem CID87839607
Molecular FormulaC9H10N4O7
Molecular Weight286.20 g/mol
Exact Mass286.05
IUPAC Name2-[(2,4-dinitrophenoxy)methyl-hydroxyamino]acetamide
SMILESNC(=O)CN(O)COc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C9H10N4O7/c10-9(14)4-11(15)5-20-8-2-1-6(12(16)17)3-7(8)13(18)19/h1-3,15H,4-5H2,(H2,10,14)
InChIKeyYRARCBMBLQTWJR-UHFFFAOYSA-N
XLogP0.02
TPSA162.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[(2,4-dinitrophenoxy)methyl-hydroxyamino]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

(2,4-dinitrophenyl) 2-aminoacetate
CID 25182265
2-(2,4-dinitrophenoxy)acetyl chloride
CID 15133534
(2,4-dinitrophenyl) pentanoate
CID 71404931
5-[(2,4-dinitrophenoxy)methyl]furan-2-carboxylic acid
CID 4681812
1-(4-bromobutoxy)-2,4-dinitrobenzene
CID 139648984
2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931860
2-[2-(hydroxymethyl)-4-nitrophenoxy]acetamide
CID 43472920
1-dodecoxy-2,4-dinitrobenzene
CID 101149819
2-(4-methyl-2-nitrophenoxy)acetamide
CID 8538614
N,N-bis(2-amino-2-oxoethyl)-2-chloro-5-nitrobenzamide
CID 62923761
[2-acetyloxy-4-(2,4-dinitrophenoxy)butyl] acetate
CID 22763386
2-(2,4-dinitrophenoxy)-N-(2-methoxyethyl)acetamide
CID 17359083

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dinitrophenoxy)methyl-hydroxyamino]acetamide?
The IUPAC name of 2-[(2,4-dinitrophenoxy)methyl-hydroxyamino]acetamide (CID 87839607) is 2-[(2,4-dinitrophenoxy)methyl-hydroxyamino]acetamide.
What is the SMILES notation for 2-[(2,4-dinitrophenoxy)methyl-hydroxyamino]acetamide?
The canonical SMILES for 2-[(2,4-dinitrophenoxy)methyl-hydroxyamino]acetamide is NC(=O)CN(O)COc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of 2-[(2,4-dinitrophenoxy)methyl-hydroxyamino]acetamide?
The InChIKey is YRARCBMBLQTWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O7/c10-9(14)4-11(15)5-20-8-2-1-6(12(16)17)3-7(8)13(18)19/h1-3,15H,4-5H2,(H2,10,14).
What are the key properties of 2-[(2,4-dinitrophenoxy)methyl-hydroxyamino]acetamide?
2-[(2,4-dinitrophenoxy)methyl-hydroxyamino]acetamide has a molecular weight of 286.20 g/mol, XLogP of 0.02, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dinitrophenoxy)methyl-hydroxyamino]acetamide is sourced from PubChem (CID 87839607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).