N-(2-methylbutan-2-yl)-2-(4-nitrophenoxy)acetamide

C13H18N2O4 — CID 9012174

IUPACN-(2-methylbutan-2-yl)-2-(4-nitrophenoxy)acetamide
SMILESCCC(C)(C)NC(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H18N2O4/c1-4-13(2,3)14-12(16)9-19-11-7-5-10(6-8-11)15(17)18/h5-8H,4,9H2,1-3H3,(H,14,16)
InChIKeyUJSKWGXAYRAYEO-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.28
Rot. Bonds6

About N-(2-methylbutan-2-yl)-2-(4-nitrophenoxy)acetamide

N-(2-methylbutan-2-yl)-2-(4-nitrophenoxy)acetamide (PubChem CID 9012174) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-(4-nitrophenoxy)acetamide
PubChem CID9012174
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC NameN-(2-methylbutan-2-yl)-2-(4-nitrophenoxy)acetamide
SMILESCCC(C)(C)NC(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H18N2O4/c1-4-13(2,3)14-12(16)9-19-11-7-5-10(6-8-11)15(17)18/h5-8H,4,9H2,1-3H3,(H,14,16)
InChIKeyUJSKWGXAYRAYEO-UHFFFAOYSA-N
XLogP2.28
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-hydroxy-2-methylbutan-2-yl)-2-(4-nitrophenoxy)acetamide
CID 115869814
2-methyl-2-[[2-(4-nitrophenoxy)acetyl]amino]butanoic acid
CID 79789555
N-(2-methylbutan-2-yl)-2-(4-methylphenoxy)acetamide
CID 50944675
2-(4-fluorophenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 47001155
N'-[2-(4-nitrophenoxy)acetyl]butanehydrazide
CID 3510439
N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204846
N-butan-2-yl-2-(4-nitrophenoxy)acetamide
CID 4810367
2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
2-(4-nitrophenoxy)-N-pentan-2-ylacetamide
CID 4810369
N-(1-hydroxy-2-methylpropan-2-yl)-2-(3-nitrophenoxy)acetamide
CID 43500706
N'-[2-(4-nitrophenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide
CID 4502703
N-(2-acetamidoethyl)-2-(4-nitrophenoxy)acetamide
CID 41161661

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-(4-nitrophenoxy)acetamide (CID 9012174) is N-(2-methylbutan-2-yl)-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-(4-nitrophenoxy)acetamide is CCC(C)(C)NC(=O)COc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-(4-nitrophenoxy)acetamide?
The InChIKey is UJSKWGXAYRAYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-4-13(2,3)14-12(16)9-19-11-7-5-10(6-8-11)15(17)18/h5-8H,4,9H2,1-3H3,(H,14,16).
What are the key properties of N-(2-methylbutan-2-yl)-2-(4-nitrophenoxy)acetamide?
N-(2-methylbutan-2-yl)-2-(4-nitrophenoxy)acetamide has a molecular weight of 266.30 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 9012174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).