2-[2-(1-hydroxyethyl)-4-nitrophenoxy]-N-methylacetamide

C11H14N2O5 — CID 116541811

IUPAC2-[2-(1-hydroxyethyl)-4-nitrophenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccc([N+](=O)[O-])cc1C(C)O
InChIInChI=1S/C11H14N2O5/c1-7(14)9-5-8(13(16)17)3-4-10(9)18-6-11(15)12-2/h3-5,7,14H,6H2,1-2H3,(H,12,15)
InChIKeyRPVGBWCSPVXIND-UHFFFAOYSA-N
MW254.24 g/mol
LogP0.77
Rot. Bonds5

About 2-[2-(1-hydroxyethyl)-4-nitrophenoxy]-N-methylacetamide

2-[2-(1-hydroxyethyl)-4-nitrophenoxy]-N-methylacetamide (PubChem CID 116541811) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is 2-[2-(1-hydroxyethyl)-4-nitrophenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(1-hydroxyethyl)-4-nitrophenoxy]-N-methylacetamide
PubChem CID116541811
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name2-[2-(1-hydroxyethyl)-4-nitrophenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccc([N+](=O)[O-])cc1C(C)O
InChIInChI=1S/C11H14N2O5/c1-7(14)9-5-8(13(16)17)3-4-10(9)18-6-11(15)12-2/h3-5,7,14H,6H2,1-2H3,(H,12,15)
InChIKeyRPVGBWCSPVXIND-UHFFFAOYSA-N
XLogP0.77
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 50.77
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

N-ethyl-2-[2-[(1S)-1-hydroxyethyl]-4-nitrophenoxy]acetamide
CID 104890441
1-(2-ethoxy-5-nitrophenyl)ethanol
CID 116541848
2-[2-(hydroxymethyl)-4-nitrophenoxy]-N-methylacetamide
CID 43472899
2-[2-(1-hydroxyethyl)-4-nitrophenoxy]-N-methylpropanamide
CID 116541821
2-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]-N-methylpropanamide
CID 104889988
1-(4-chlorophenyl)-2-[2-(1-hydroxyethyl)-4-nitrophenoxy]ethanone
CID 15508514
3-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]butan-2-ol
CID 104890180
(1S)-1-(5-nitro-2-prop-2-enoxyphenyl)ethanol
CID 104890248
(1R)-1-[2-(2-fluoroethoxy)-5-nitrophenyl]ethanol
CID 104890135
2-[2-(1-hydroxyethyl)-4-nitrophenoxy]acetonitrile
CID 116542044
3-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]propanamide
CID 104890078
N-cyclopropyl-3-[2-[(1S)-1-hydroxyethyl]-4-nitrophenoxy]propanamide
CID 104890356

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-hydroxyethyl)-4-nitrophenoxy]-N-methylacetamide?
The IUPAC name of 2-[2-(1-hydroxyethyl)-4-nitrophenoxy]-N-methylacetamide (CID 116541811) is 2-[2-(1-hydroxyethyl)-4-nitrophenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[2-(1-hydroxyethyl)-4-nitrophenoxy]-N-methylacetamide?
The canonical SMILES for 2-[2-(1-hydroxyethyl)-4-nitrophenoxy]-N-methylacetamide is CNC(=O)COc1ccc([N+](=O)[O-])cc1C(C)O.
What is the InChIKey of 2-[2-(1-hydroxyethyl)-4-nitrophenoxy]-N-methylacetamide?
The InChIKey is RPVGBWCSPVXIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c1-7(14)9-5-8(13(16)17)3-4-10(9)18-6-11(15)12-2/h3-5,7,14H,6H2,1-2H3,(H,12,15).
What are the key properties of 2-[2-(1-hydroxyethyl)-4-nitrophenoxy]-N-methylacetamide?
2-[2-(1-hydroxyethyl)-4-nitrophenoxy]-N-methylacetamide has a molecular weight of 254.24 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-hydroxyethyl)-4-nitrophenoxy]-N-methylacetamide is sourced from PubChem (CID 116541811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).