N-(4-hydroxy-2-nitrophenyl)-2-propoxyacetamide

C11H14N2O5 — CID 114018733

IUPACN-(4-hydroxy-2-nitrophenyl)-2-propoxyacetamide
SMILESCCCOCC(=O)Nc1ccc(O)cc1[N+](=O)[O-]
InChIInChI=1S/C11H14N2O5/c1-2-5-18-7-11(15)12-9-4-3-8(14)6-10(9)13(16)17/h3-4,6,14H,2,5,7H2,1H3,(H,12,15)
InChIKeyMUZWPXYBUIFUIH-UHFFFAOYSA-N
MW254.24 g/mol
LogP1.67
Rot. Bonds6

About N-(4-hydroxy-2-nitrophenyl)-2-propoxyacetamide

N-(4-hydroxy-2-nitrophenyl)-2-propoxyacetamide (PubChem CID 114018733) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is N-(4-hydroxy-2-nitrophenyl)-2-propoxyacetamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-nitrophenyl)-2-propoxyacetamide
PubChem CID114018733
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC NameN-(4-hydroxy-2-nitrophenyl)-2-propoxyacetamide
SMILESCCCOCC(=O)Nc1ccc(O)cc1[N+](=O)[O-]
InChIInChI=1S/C11H14N2O5/c1-2-5-18-7-11(15)12-9-4-3-8(14)6-10(9)13(16)17/h3-4,6,14H,2,5,7H2,1H3,(H,12,15)
InChIKeyMUZWPXYBUIFUIH-UHFFFAOYSA-N
XLogP1.67
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', '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

2-(2-aminoethoxy)-N-(4-hydroxy-2-nitrophenyl)acetamide
CID 79473716
N-(4-hydroxy-2-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604610
5-nitro-2-[(2-propoxyacetyl)amino]benzoic acid
CID 107937682
N-(4-chloro-2-nitrophenyl)-2-ethoxyacetamide
CID 60719107
3-(ethylamino)-N-(4-hydroxy-2-nitrophenyl)propanamide
CID 62832870
5-bromo-N-(4-hydroxy-2-nitrophenyl)pentanamide
CID 107908520
propyl 4-hydroxy-2-nitrobenzoate
CID 154256873
(2S,3S)-2-amino-N-(4-hydroxy-2-nitrophenyl)-3-methylpentanamide
CID 61155628
N-(4-hydroxy-2-nitrophenyl)-2-methylpropanamide
CID 64592033
2-(azetidin-3-yl)-N-(4-hydroxy-2-nitrophenyl)acetamide
CID 64616370
4-(methylamino)-3-nitrophenol
CID 22832045
3-ethoxy-N-(4-methoxy-2-nitrophenyl)propanamide
CID 2975661

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-nitrophenyl)-2-propoxyacetamide?
The IUPAC name of N-(4-hydroxy-2-nitrophenyl)-2-propoxyacetamide (CID 114018733) is N-(4-hydroxy-2-nitrophenyl)-2-propoxyacetamide.
What is the SMILES notation for N-(4-hydroxy-2-nitrophenyl)-2-propoxyacetamide?
The canonical SMILES for N-(4-hydroxy-2-nitrophenyl)-2-propoxyacetamide is CCCOCC(=O)Nc1ccc(O)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-hydroxy-2-nitrophenyl)-2-propoxyacetamide?
The InChIKey is MUZWPXYBUIFUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c1-2-5-18-7-11(15)12-9-4-3-8(14)6-10(9)13(16)17/h3-4,6,14H,2,5,7H2,1H3,(H,12,15).
What are the key properties of N-(4-hydroxy-2-nitrophenyl)-2-propoxyacetamide?
N-(4-hydroxy-2-nitrophenyl)-2-propoxyacetamide has a molecular weight of 254.24 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-nitrophenyl)-2-propoxyacetamide is sourced from PubChem (CID 114018733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).