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

C13H18N2O5 — CID 115869814

IUPACN-(4-hydroxy-2-methylbutan-2-yl)-2-(4-nitrophenoxy)acetamide
SMILESCC(C)(CCO)NC(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H18N2O5/c1-13(2,7-8-16)14-12(17)9-20-11-5-3-10(4-6-11)15(18)19/h3-6,16H,7-9H2,1-2H3,(H,14,17)
InChIKeyCZHOYGQMQWYPTB-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.25
Rot. Bonds7

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

N-(4-hydroxy-2-methylbutan-2-yl)-2-(4-nitrophenoxy)acetamide (PubChem CID 115869814) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylbutan-2-yl)-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylbutan-2-yl)-2-(4-nitrophenoxy)acetamide
PubChem CID115869814
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC NameN-(4-hydroxy-2-methylbutan-2-yl)-2-(4-nitrophenoxy)acetamide
SMILESCC(C)(CCO)NC(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H18N2O5/c1-13(2,7-8-16)14-12(17)9-20-11-5-3-10(4-6-11)15(18)19/h3-6,16H,7-9H2,1-2H3,(H,14,17)
InChIKeyCZHOYGQMQWYPTB-UHFFFAOYSA-N
XLogP1.25
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.25
H-Bond Donors ≤ 52
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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Related Compounds

N-(2-methylbutan-2-yl)-2-(4-nitrophenoxy)acetamide
CID 9012174
2-methyl-2-[[2-(4-nitrophenoxy)acetyl]amino]butanoic acid
CID 79789555
N-(1-hydroxy-2-methylpropan-2-yl)-2-(3-nitrophenoxy)acetamide
CID 43500706
N-(3-hydroxypropyl)-2-(4-nitrophenoxy)acetamide
CID 43391408
2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
N'-[2-(4-nitrophenoxy)acetyl]butanehydrazide
CID 3510439
N-(6-hydroxyhexyl)-2-(4-nitrophenoxy)acetamide
CID 103919606
N'-[2-(4-nitrophenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide
CID 4502703
N-(2-acetamidoethyl)-2-(4-nitrophenoxy)acetamide
CID 41161661
N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2-(4-nitrophenoxy)acetamide
CID 86948926
N-butan-2-yl-2-(4-nitrophenoxy)acetamide
CID 4810367
N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204846

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylbutan-2-yl)-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-(4-hydroxy-2-methylbutan-2-yl)-2-(4-nitrophenoxy)acetamide (CID 115869814) is N-(4-hydroxy-2-methylbutan-2-yl)-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-(4-hydroxy-2-methylbutan-2-yl)-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-(4-hydroxy-2-methylbutan-2-yl)-2-(4-nitrophenoxy)acetamide is CC(C)(CCO)NC(=O)COc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(4-hydroxy-2-methylbutan-2-yl)-2-(4-nitrophenoxy)acetamide?
The InChIKey is CZHOYGQMQWYPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-13(2,7-8-16)14-12(17)9-20-11-5-3-10(4-6-11)15(18)19/h3-6,16H,7-9H2,1-2H3,(H,14,17).
What are the key properties of N-(4-hydroxy-2-methylbutan-2-yl)-2-(4-nitrophenoxy)acetamide?
N-(4-hydroxy-2-methylbutan-2-yl)-2-(4-nitrophenoxy)acetamide has a molecular weight of 282.30 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylbutan-2-yl)-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 115869814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).