N-(2-hydroxy-6-nitrophenyl)-2-propan-2-yloxyacetamide

C11H14N2O5 — CID 107681464

IUPACN-(2-hydroxy-6-nitrophenyl)-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)Nc1c(O)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H14N2O5/c1-7(2)18-6-10(15)12-11-8(13(16)17)4-3-5-9(11)14/h3-5,7,14H,6H2,1-2H3,(H,12,15)
InChIKeyAKEDLUNCVKBFCI-UHFFFAOYSA-N
MW254.24 g/mol
LogP1.66
Rot. Bonds5

About N-(2-hydroxy-6-nitrophenyl)-2-propan-2-yloxyacetamide

N-(2-hydroxy-6-nitrophenyl)-2-propan-2-yloxyacetamide (PubChem CID 107681464) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is N-(2-hydroxy-6-nitrophenyl)-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-(2-hydroxy-6-nitrophenyl)-2-propan-2-yloxyacetamide
PubChem CID107681464
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC NameN-(2-hydroxy-6-nitrophenyl)-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)Nc1c(O)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H14N2O5/c1-7(2)18-6-10(15)12-11-8(13(16)17)4-3-5-9(11)14/h3-5,7,14H,6H2,1-2H3,(H,12,15)
InChIKeyAKEDLUNCVKBFCI-UHFFFAOYSA-N
XLogP1.66
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-6-nitrophenyl)-3-oxobutanamide
CID 107681107
N-(2-hydroxy-6-nitrophenyl)-3-methylpentanamide
CID 107681171
N-(2-hydroxy-6-nitrophenyl)-2-phenoxyacetamide
CID 107681256
2-bromo-N-(2-hydroxy-6-nitrophenyl)propanamide
CID 107906031
N-(2-hydroxy-6-nitrophenyl)but-3-enamide
CID 107681224
N-[(2-nitrophenyl)methyl]-2-propan-2-yloxyacetamide
CID 47413238
4-chloro-N-(2-hydroxy-6-nitrophenyl)butanamide
CID 107679551
N-(4-methyl-2-nitrophenyl)-2-propan-2-yloxyacetamide
CID 112604437
N-(2-hydroxy-6-nitrophenyl)-3-phenylpropanamide
CID 107681392
2-amino-N-[2-(2-hydroxy-6-nitroanilino)-2-oxoethyl]acetamide
CID 107681048
N-(2-hydroxy-6-nitrophenyl)prop-2-enamide
CID 107679556
3-cyclohexyl-N-(2-hydroxy-6-nitrophenyl)propanamide
CID 107681385

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-6-nitrophenyl)-2-propan-2-yloxyacetamide?
The IUPAC name of N-(2-hydroxy-6-nitrophenyl)-2-propan-2-yloxyacetamide (CID 107681464) is N-(2-hydroxy-6-nitrophenyl)-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-(2-hydroxy-6-nitrophenyl)-2-propan-2-yloxyacetamide?
The canonical SMILES for N-(2-hydroxy-6-nitrophenyl)-2-propan-2-yloxyacetamide is CC(C)OCC(=O)Nc1c(O)cccc1[N+](=O)[O-].
What is the InChIKey of N-(2-hydroxy-6-nitrophenyl)-2-propan-2-yloxyacetamide?
The InChIKey is AKEDLUNCVKBFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c1-7(2)18-6-10(15)12-11-8(13(16)17)4-3-5-9(11)14/h3-5,7,14H,6H2,1-2H3,(H,12,15).
What are the key properties of N-(2-hydroxy-6-nitrophenyl)-2-propan-2-yloxyacetamide?
N-(2-hydroxy-6-nitrophenyl)-2-propan-2-yloxyacetamide has a molecular weight of 254.24 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-6-nitrophenyl)-2-propan-2-yloxyacetamide is sourced from PubChem (CID 107681464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).