N-(2-hydroxyethyl)-N-methyl-2-(2-nitroimidazol-1-yl)acetamide

C8H12N4O4 — CID 10220197

IUPACN-(2-hydroxyethyl)-N-methyl-2-(2-nitroimidazol-1-yl)acetamide
SMILESCN(CCO)C(=O)Cn1ccnc1[N+](=O)[O-]
InChIInChI=1S/C8H12N4O4/c1-10(4-5-13)7(14)6-11-3-2-9-8(11)12(15)16/h2-3,13H,4-6H2,1H3
InChIKeyCRZSMISTBURLHC-UHFFFAOYSA-N
MW228.21 g/mol
LogP-0.76
Rot. Bonds5

About N-(2-hydroxyethyl)-N-methyl-2-(2-nitroimidazol-1-yl)acetamide

N-(2-hydroxyethyl)-N-methyl-2-(2-nitroimidazol-1-yl)acetamide (PubChem CID 10220197) has the molecular formula C8H12N4O4 and a molecular weight of 228.21 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-methyl-2-(2-nitroimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-methyl-2-(2-nitroimidazol-1-yl)acetamide
PubChem CID10220197
Molecular FormulaC8H12N4O4
Molecular Weight228.21 g/mol
Exact Mass228.09
IUPAC NameN-(2-hydroxyethyl)-N-methyl-2-(2-nitroimidazol-1-yl)acetamide
SMILESCN(CCO)C(=O)Cn1ccnc1[N+](=O)[O-]
InChIInChI=1S/C8H12N4O4/c1-10(4-5-13)7(14)6-11-3-2-9-8(11)12(15)16/h2-3,13H,4-6H2,1H3
InChIKeyCRZSMISTBURLHC-UHFFFAOYSA-N
XLogP-0.76
TPSA101.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(2-hydroxyethyl)-N-methyl-2-(2-nitroimidazol-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-methyl-2-(2-nitroimidazol-1-yl)acetamide?
The IUPAC name of N-(2-hydroxyethyl)-N-methyl-2-(2-nitroimidazol-1-yl)acetamide (CID 10220197) is N-(2-hydroxyethyl)-N-methyl-2-(2-nitroimidazol-1-yl)acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-methyl-2-(2-nitroimidazol-1-yl)acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-methyl-2-(2-nitroimidazol-1-yl)acetamide is CN(CCO)C(=O)Cn1ccnc1[N+](=O)[O-].
What is the InChIKey of N-(2-hydroxyethyl)-N-methyl-2-(2-nitroimidazol-1-yl)acetamide?
The InChIKey is CRZSMISTBURLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O4/c1-10(4-5-13)7(14)6-11-3-2-9-8(11)12(15)16/h2-3,13H,4-6H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-N-methyl-2-(2-nitroimidazol-1-yl)acetamide?
N-(2-hydroxyethyl)-N-methyl-2-(2-nitroimidazol-1-yl)acetamide has a molecular weight of 228.21 g/mol, XLogP of -0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-methyl-2-(2-nitroimidazol-1-yl)acetamide is sourced from PubChem (CID 10220197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).