N-(2-hydroxy-2-methylpropyl)-2-(2-nitrophenyl)acetamide

C12H16N2O4 — CID 65110200

IUPACN-(2-hydroxy-2-methylpropyl)-2-(2-nitrophenyl)acetamide
SMILESCC(C)(O)CNC(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H16N2O4/c1-12(2,16)8-13-11(15)7-9-5-3-4-6-10(9)14(17)18/h3-6,16H,7-8H2,1-2H3,(H,13,15)
InChIKeyFHLIQTSTXXJHGQ-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.02
Rot. Bonds5

About N-(2-hydroxy-2-methylpropyl)-2-(2-nitrophenyl)acetamide

N-(2-hydroxy-2-methylpropyl)-2-(2-nitrophenyl)acetamide (PubChem CID 65110200) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-2-(2-nitrophenyl)acetamide
PubChem CID65110200
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC NameN-(2-hydroxy-2-methylpropyl)-2-(2-nitrophenyl)acetamide
SMILESCC(C)(O)CNC(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H16N2O4/c1-12(2,16)8-13-11(15)7-9-5-3-4-6-10(9)14(17)18/h3-6,16H,7-8H2,1-2H3,(H,13,15)
InChIKeyFHLIQTSTXXJHGQ-UHFFFAOYSA-N
XLogP1.02
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.02
H-Bond Donors ≤ 52
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-[2-ethyl-2-(hydroxymethyl)butyl]-2-(2-nitrophenyl)acetamide
CID 103843631
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-(2-nitrophenyl)acetamide
CID 24646123
N-[(2S)-2-hydroxypropyl]-2-(2-nitrophenyl)acetamide
CID 83030865
N-(2-tert-butylphenyl)-2-(2-nitrophenyl)acetamide
CID 35728569
2-bromo-2-methyl-N-[(2-nitrophenyl)methyl]propanamide
CID 114328572
N-hexyl-2-(2-nitrophenyl)acetamide
CID 3386287
N-[[2-(methoxymethyl)phenyl]methyl]-2-(2-nitrophenyl)acetamide
CID 32602817
2-(2-hydroxyphenyl)-N-[(2-nitrophenyl)methyl]acetamide
CID 24873981
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-(2-nitrophenyl)acetamide
CID 103602216
N-[3-(ethylamino)propyl]-2-(2-nitrophenyl)acetamide
CID 43601616
N-[3-(dimethylamino)propyl]-2-(2-nitrophenyl)acetamide
CID 3387628
2-(2-nitrophenyl)-N-(3-phenylprop-2-ynyl)acetamide
CID 24615540

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-2-(2-nitrophenyl)acetamide (CID 65110200) is N-(2-hydroxy-2-methylpropyl)-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-2-(2-nitrophenyl)acetamide is CC(C)(O)CNC(=O)Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-2-(2-nitrophenyl)acetamide?
The InChIKey is FHLIQTSTXXJHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-12(2,16)8-13-11(15)7-9-5-3-4-6-10(9)14(17)18/h3-6,16H,7-8H2,1-2H3,(H,13,15).
What are the key properties of N-(2-hydroxy-2-methylpropyl)-2-(2-nitrophenyl)acetamide?
N-(2-hydroxy-2-methylpropyl)-2-(2-nitrophenyl)acetamide has a molecular weight of 252.27 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 65110200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).