2-[2-(hydroxymethyl)-4-nitrophenoxy]acetamide

C9H10N2O5 — CID 43472920

IUPAC2-[2-(hydroxymethyl)-4-nitrophenoxy]acetamide
SMILESNC(=O)COc1ccc([N+](=O)[O-])cc1CO
InChIInChI=1S/C9H10N2O5/c10-9(13)5-16-8-2-1-7(11(14)15)3-6(8)4-12/h1-3,12H,4-5H2,(H2,10,13)
InChIKeyRTCMUBCTCNOYCE-UHFFFAOYSA-N
MW226.19 g/mol
LogP-0.05
Rot. Bonds5

About 2-[2-(hydroxymethyl)-4-nitrophenoxy]acetamide

2-[2-(hydroxymethyl)-4-nitrophenoxy]acetamide (PubChem CID 43472920) has the molecular formula C9H10N2O5 and a molecular weight of 226.19 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-4-nitrophenoxy]acetamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-4-nitrophenoxy]acetamide
PubChem CID43472920
Molecular FormulaC9H10N2O5
Molecular Weight226.19 g/mol
Exact Mass226.06
IUPAC Name2-[2-(hydroxymethyl)-4-nitrophenoxy]acetamide
SMILESNC(=O)COc1ccc([N+](=O)[O-])cc1CO
InChIInChI=1S/C9H10N2O5/c10-9(13)5-16-8-2-1-7(11(14)15)3-6(8)4-12/h1-3,12H,4-5H2,(H2,10,13)
InChIKeyRTCMUBCTCNOYCE-UHFFFAOYSA-N
XLogP-0.05
TPSA115.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 5-0.05
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

ethyl 2-[2-(hydroxymethyl)-4-nitrophenoxy]acetate
CID 43472951
2-[2-(hydroxymethyl)-4-nitrophenoxy]-N-methylacetamide
CID 43472899
2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931860
(2-ethoxy-5-nitrophenyl)methanol
CID 28963811
[2-(2-fluoroethoxy)-5-nitrophenyl]methanol
CID 80695743
2-[2-(hydroxymethyl)-4-nitrophenoxy]-N-propylacetamide
CID 43472891
2-[2-(hydroxymethyl)-4-nitrophenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 61488109
[2-(3-ethoxypropoxy)-5-nitrophenyl]methanol
CID 65175373
N-butyl-2-[2-(hydroxymethyl)-4-nitrophenoxy]acetamide
CID 61485850
[5-nitro-2-(3,3,3-trifluoropropoxy)phenyl]methanol
CID 64564855
[2-(cyclobutylmethoxy)-5-nitrophenyl]methanol
CID 65458309
[2-[(3,5-dimethylphenyl)methoxy]-5-nitrophenyl]methanol
CID 61029024

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-4-nitrophenoxy]acetamide?
The IUPAC name of 2-[2-(hydroxymethyl)-4-nitrophenoxy]acetamide (CID 43472920) is 2-[2-(hydroxymethyl)-4-nitrophenoxy]acetamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)-4-nitrophenoxy]acetamide?
The canonical SMILES for 2-[2-(hydroxymethyl)-4-nitrophenoxy]acetamide is NC(=O)COc1ccc([N+](=O)[O-])cc1CO.
What is the InChIKey of 2-[2-(hydroxymethyl)-4-nitrophenoxy]acetamide?
The InChIKey is RTCMUBCTCNOYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O5/c10-9(13)5-16-8-2-1-7(11(14)15)3-6(8)4-12/h1-3,12H,4-5H2,(H2,10,13).
What are the key properties of 2-[2-(hydroxymethyl)-4-nitrophenoxy]acetamide?
2-[2-(hydroxymethyl)-4-nitrophenoxy]acetamide has a molecular weight of 226.19 g/mol, XLogP of -0.05, 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]acetamide is sourced from PubChem (CID 43472920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).