N-[2-(3-methylbutoxy)ethyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide

C14H21N3O5 — CID 60529215

IUPACN-[2-(3-methylbutoxy)ethyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
SMILESCC(C)CCOCCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O
InChIInChI=1S/C14H21N3O5/c1-11(2)5-7-22-8-6-15-13(18)10-16-9-12(17(20)21)3-4-14(16)19/h3-4,9,11H,5-8,10H2,1-2H3,(H,15,18)
InChIKeyOFBAOOUIHABLRX-UHFFFAOYSA-N
MW311.34 g/mol
LogP0.94
Rot. Bonds9

About N-[2-(3-methylbutoxy)ethyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide

N-[2-(3-methylbutoxy)ethyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide (PubChem CID 60529215) has the molecular formula C14H21N3O5 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[2-(3-methylbutoxy)ethyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[2-(3-methylbutoxy)ethyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
PubChem CID60529215
Molecular FormulaC14H21N3O5
Molecular Weight311.34 g/mol
Exact Mass311.15
IUPAC NameN-[2-(3-methylbutoxy)ethyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
SMILESCC(C)CCOCCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O
InChIInChI=1S/C14H21N3O5/c1-11(2)5-7-22-8-6-15-13(18)10-16-9-12(17(20)21)3-4-14(16)19/h3-4,9,11H,5-8,10H2,1-2H3,(H,15,18)
InChIKeyOFBAOOUIHABLRX-UHFFFAOYSA-N
XLogP0.94
TPSA103.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[2-(3-methylbutoxy)ethyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-[2-(3-methylbutoxy)ethyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide (CID 60529215) is N-[2-(3-methylbutoxy)ethyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-[2-(3-methylbutoxy)ethyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-[2-(3-methylbutoxy)ethyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide is CC(C)CCOCCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O.
What is the InChIKey of N-[2-(3-methylbutoxy)ethyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
The InChIKey is OFBAOOUIHABLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O5/c1-11(2)5-7-22-8-6-15-13(18)10-16-9-12(17(20)21)3-4-14(16)19/h3-4,9,11H,5-8,10H2,1-2H3,(H,15,18).
What are the key properties of N-[2-(3-methylbutoxy)ethyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
N-[2-(3-methylbutoxy)ethyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide has a molecular weight of 311.34 g/mol, XLogP of 0.94, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylbutoxy)ethyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 60529215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).