N-tert-butyl-2-[methyl-[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]acetamide

C14H20N4O5 — CID 8649325

IUPACN-tert-butyl-2-[methyl-[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)COc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C14H20N4O5/c1-14(2,3)16-11(19)8-17(4)12(20)9-23-10-6-5-7-15-13(10)18(21)22/h5-7H,8-9H2,1-4H3,(H,16,19)
InChIKeyCRUWNZNRBQPBDF-UHFFFAOYSA-N
MW324.34 g/mol
LogP0.74
Rot. Bonds6

About N-tert-butyl-2-[methyl-[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]acetamide

N-tert-butyl-2-[methyl-[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]acetamide (PubChem CID 8649325) has the molecular formula C14H20N4O5 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-tert-butyl-2-[methyl-[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[methyl-[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]acetamide
PubChem CID8649325
Molecular FormulaC14H20N4O5
Molecular Weight324.34 g/mol
Exact Mass324.14
IUPAC NameN-tert-butyl-2-[methyl-[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)COc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C14H20N4O5/c1-14(2,3)16-11(19)8-17(4)12(20)9-23-10-6-5-7-15-13(10)18(21)22/h5-7H,8-9H2,1-4H3,(H,16,19)
InChIKeyCRUWNZNRBQPBDF-UHFFFAOYSA-N
XLogP0.74
TPSA114.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 50.74
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'}

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Related Compounds

N-tert-butyl-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide
CID 8586964
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 8649361
N-benzhydryl-N-methyl-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 29347080
2-[(2-nitro-3-pyridinyl)oxy]-N,N-bis(prop-2-enyl)acetamide
CID 52890111
N-(2-methylpropyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 3895625
N-tert-butyl-2-[[2-(2-chloro-4-fluorophenoxy)acetyl]-methylamino]acetamide
CID 18118150
2-[(2-nitro-3-pyridinyl)oxy]-N-(1-phenylethyl)acetamide
CID 18077327
N-(2-hydroxyethyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 43509914
N-tert-butyl-2-[methyl-[2-(2,4,5-trichlorophenoxy)acetyl]amino]acetamide
CID 9343613
1-(tert-butylamino)-3-[(2-nitro-3-pyridinyl)oxy]propan-2-ol
CID 115475954
2-[[2-(4-anilinophenoxy)acetyl]-methylamino]-N-tert-butylacetamide
CID 18110379
N-[2,6-di(propan-2-yl)phenyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 40575021

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[methyl-[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[methyl-[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]acetamide (CID 8649325) is N-tert-butyl-2-[methyl-[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[methyl-[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[methyl-[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]acetamide is CN(CC(=O)NC(C)(C)C)C(=O)COc1cccnc1[N+](=O)[O-].
What is the InChIKey of N-tert-butyl-2-[methyl-[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]acetamide?
The InChIKey is CRUWNZNRBQPBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O5/c1-14(2,3)16-11(19)8-17(4)12(20)9-23-10-6-5-7-15-13(10)18(21)22/h5-7H,8-9H2,1-4H3,(H,16,19).
What are the key properties of N-tert-butyl-2-[methyl-[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]acetamide?
N-tert-butyl-2-[methyl-[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]acetamide has a molecular weight of 324.34 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[methyl-[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]acetamide is sourced from PubChem (CID 8649325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).