N-ethyl-2-(2-methyl-5-nitroimidazol-1-yl)-N-phenylacetamide

C14H16N4O3 — CID 707262

IUPACN-ethyl-2-(2-methyl-5-nitroimidazol-1-yl)-N-phenylacetamide
SMILESCCN(C(=O)Cn1c([N+](=O)[O-])cnc1C)c1ccccc1
InChIInChI=1S/C14H16N4O3/c1-3-16(12-7-5-4-6-8-12)14(19)10-17-11(2)15-9-13(17)18(20)21/h4-9H,3,10H2,1-2H3
InChIKeyYYDSWDZCJBCUQN-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.15
Rot. Bonds5

About N-ethyl-2-(2-methyl-5-nitroimidazol-1-yl)-N-phenylacetamide

N-ethyl-2-(2-methyl-5-nitroimidazol-1-yl)-N-phenylacetamide (PubChem CID 707262) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-ethyl-2-(2-methyl-5-nitroimidazol-1-yl)-N-phenylacetamide.

Molecular Properties

Compound NameN-ethyl-2-(2-methyl-5-nitroimidazol-1-yl)-N-phenylacetamide
PubChem CID707262
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC NameN-ethyl-2-(2-methyl-5-nitroimidazol-1-yl)-N-phenylacetamide
SMILESCCN(C(=O)Cn1c([N+](=O)[O-])cnc1C)c1ccccc1
InChIInChI=1S/C14H16N4O3/c1-3-16(12-7-5-4-6-8-12)14(19)10-17-11(2)15-9-13(17)18(20)21/h4-9H,3,10H2,1-2H3
InChIKeyYYDSWDZCJBCUQN-UHFFFAOYSA-N
XLogP2.15
TPSA81.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.15
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methyl-5-nitroimidazol-1-yl)-N-phenylacetamide?
The IUPAC name of N-ethyl-2-(2-methyl-5-nitroimidazol-1-yl)-N-phenylacetamide (CID 707262) is N-ethyl-2-(2-methyl-5-nitroimidazol-1-yl)-N-phenylacetamide.
What is the SMILES notation for N-ethyl-2-(2-methyl-5-nitroimidazol-1-yl)-N-phenylacetamide?
The canonical SMILES for N-ethyl-2-(2-methyl-5-nitroimidazol-1-yl)-N-phenylacetamide is CCN(C(=O)Cn1c([N+](=O)[O-])cnc1C)c1ccccc1.
What is the InChIKey of N-ethyl-2-(2-methyl-5-nitroimidazol-1-yl)-N-phenylacetamide?
The InChIKey is YYDSWDZCJBCUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-3-16(12-7-5-4-6-8-12)14(19)10-17-11(2)15-9-13(17)18(20)21/h4-9H,3,10H2,1-2H3.
What are the key properties of N-ethyl-2-(2-methyl-5-nitroimidazol-1-yl)-N-phenylacetamide?
N-ethyl-2-(2-methyl-5-nitroimidazol-1-yl)-N-phenylacetamide has a molecular weight of 288.31 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methyl-5-nitroimidazol-1-yl)-N-phenylacetamide is sourced from PubChem (CID 707262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).