2-[2-(hydroxymethyl)-4-nitrophenoxy]-N-methylacetamide

C10H12N2O5 — CID 43472899

IUPAC2-[2-(hydroxymethyl)-4-nitrophenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccc([N+](=O)[O-])cc1CO
InChIInChI=1S/C10H12N2O5/c1-11-10(14)6-17-9-3-2-8(12(15)16)4-7(9)5-13/h2-4,13H,5-6H2,1H3,(H,11,14)
InChIKeyKKJFRLMFIASKEA-UHFFFAOYSA-N
MW240.21 g/mol
LogP0.21
Rot. Bonds5

About 2-[2-(hydroxymethyl)-4-nitrophenoxy]-N-methylacetamide

2-[2-(hydroxymethyl)-4-nitrophenoxy]-N-methylacetamide (PubChem CID 43472899) has the molecular formula C10H12N2O5 and a molecular weight of 240.21 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-4-nitrophenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-4-nitrophenoxy]-N-methylacetamide
PubChem CID43472899
Molecular FormulaC10H12N2O5
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Name2-[2-(hydroxymethyl)-4-nitrophenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccc([N+](=O)[O-])cc1CO
InChIInChI=1S/C10H12N2O5/c1-11-10(14)6-17-9-3-2-8(12(15)16)4-7(9)5-13/h2-4,13H,5-6H2,1H3,(H,11,14)
InChIKeyKKJFRLMFIASKEA-UHFFFAOYSA-N
XLogP0.21
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 50.21
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'}

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Related Compounds

2-[2-(hydroxymethyl)-4-nitrophenoxy]-N-propylacetamide
CID 43472891
2-[2-(hydroxymethyl)-4-nitrophenoxy]acetamide
CID 43472920
N-butyl-2-[2-(hydroxymethyl)-4-nitrophenoxy]acetamide
CID 61485850
2-[2-(hydroxymethyl)-4-nitrophenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 61488109
ethyl 2-[2-(hydroxymethyl)-4-nitrophenoxy]acetate
CID 43472951
(2-ethoxy-5-nitrophenyl)methanol
CID 28963811
2-[2-(1-hydroxyethyl)-4-nitrophenoxy]-N-methylacetamide
CID 116541811
[2-(3-ethoxypropoxy)-5-nitrophenyl]methanol
CID 65175373
[2-(2-fluoroethoxy)-5-nitrophenyl]methanol
CID 80695743
4-[2-(hydroxymethyl)-4-nitrophenoxy]-2-methylbutan-2-ol
CID 79356216
[2-[(4-methylphenyl)methoxy]-5-nitrophenyl]methanol
CID 43472911
[2-[(3,5-dimethylphenyl)methoxy]-5-nitrophenyl]methanol
CID 61029024

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-4-nitrophenoxy]-N-methylacetamide?
The IUPAC name of 2-[2-(hydroxymethyl)-4-nitrophenoxy]-N-methylacetamide (CID 43472899) is 2-[2-(hydroxymethyl)-4-nitrophenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)-4-nitrophenoxy]-N-methylacetamide?
The canonical SMILES for 2-[2-(hydroxymethyl)-4-nitrophenoxy]-N-methylacetamide is CNC(=O)COc1ccc([N+](=O)[O-])cc1CO.
What is the InChIKey of 2-[2-(hydroxymethyl)-4-nitrophenoxy]-N-methylacetamide?
The InChIKey is KKJFRLMFIASKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5/c1-11-10(14)6-17-9-3-2-8(12(15)16)4-7(9)5-13/h2-4,13H,5-6H2,1H3,(H,11,14).
What are the key properties of 2-[2-(hydroxymethyl)-4-nitrophenoxy]-N-methylacetamide?
2-[2-(hydroxymethyl)-4-nitrophenoxy]-N-methylacetamide has a molecular weight of 240.21 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-4-nitrophenoxy]-N-methylacetamide is sourced from PubChem (CID 43472899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).