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

C11H14N2O5 — CID 55132583

IUPAC2-[4-(hydroxymethyl)-2-nitrophenoxy]butanamide
SMILESCCC(Oc1ccc(CO)cc1[N+](=O)[O-])C(N)=O
InChIInChI=1S/C11H14N2O5/c1-2-9(11(12)15)18-10-4-3-7(6-14)5-8(10)13(16)17/h3-5,9,14H,2,6H2,1H3,(H2,12,15)
InChIKeyFUNPIJGRERNHNA-UHFFFAOYSA-N
MW254.24 g/mol
LogP0.73
Rot. Bonds6

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

2-[4-(hydroxymethyl)-2-nitrophenoxy]butanamide (PubChem CID 55132583) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)-2-nitrophenoxy]butanamide.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)-2-nitrophenoxy]butanamide
PubChem CID55132583
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name2-[4-(hydroxymethyl)-2-nitrophenoxy]butanamide
SMILESCCC(Oc1ccc(CO)cc1[N+](=O)[O-])C(N)=O
InChIInChI=1S/C11H14N2O5/c1-2-9(11(12)15)18-10-4-3-7(6-14)5-8(10)13(16)17/h3-5,9,14H,2,6H2,1H3,(H2,12,15)
InChIKeyFUNPIJGRERNHNA-UHFFFAOYSA-N
XLogP0.73
TPSA115.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 50.73
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-[4-(hydroxymethyl)-2-nitrophenoxy]butanamide 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-(ethylaminomethyl)-2-nitrophenoxy]butanamide
CID 62901529
4-(1-amino-1-oxobutan-2-yl)oxy-3-nitrobenzoic acid
CID 62899104
2-[5-(aminomethyl)-2-nitrophenoxy]butanamide
CID 62900391
(3-nitro-4-propan-2-yloxyphenyl)methanol
CID 28963964
ethyl 2-[4-(methylaminomethyl)-2-nitrophenoxy]butanoate
CID 64667305
2-[4-(methylaminomethyl)-2-nitrophenoxy]butanoic acid
CID 64667306
2-[4-(hydroxymethyl)-2-methoxy-5-nitrophenoxy]butanamide
CID 62901575
2-(2-chloro-4-nitrophenoxy)butanamide
CID 62901256
2-[2-(aminomethyl)-4-nitrophenoxy]butanamide
CID 62899446
2-(4-chloro-2-nitrophenoxy)butanoate
CID 57346613
2-(3-chloro-4-nitrophenoxy)butanamide
CID 62899545
ethyl 2-(4-methoxy-2-nitrophenoxy)butanoate
CID 60656318

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)-2-nitrophenoxy]butanamide?
The IUPAC name of 2-[4-(hydroxymethyl)-2-nitrophenoxy]butanamide (CID 55132583) is 2-[4-(hydroxymethyl)-2-nitrophenoxy]butanamide.
What is the SMILES notation for 2-[4-(hydroxymethyl)-2-nitrophenoxy]butanamide?
The canonical SMILES for 2-[4-(hydroxymethyl)-2-nitrophenoxy]butanamide is CCC(Oc1ccc(CO)cc1[N+](=O)[O-])C(N)=O.
What is the InChIKey of 2-[4-(hydroxymethyl)-2-nitrophenoxy]butanamide?
The InChIKey is FUNPIJGRERNHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c1-2-9(11(12)15)18-10-4-3-7(6-14)5-8(10)13(16)17/h3-5,9,14H,2,6H2,1H3,(H2,12,15).
What are the key properties of 2-[4-(hydroxymethyl)-2-nitrophenoxy]butanamide?
2-[4-(hydroxymethyl)-2-nitrophenoxy]butanamide has a molecular weight of 254.24 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)-2-nitrophenoxy]butanamide is sourced from PubChem (CID 55132583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).