2-(2-aminoethoxy)-N-(4-hydroxy-2-nitrophenyl)acetamide

C10H13N3O5 — CID 79473716

IUPAC2-(2-aminoethoxy)-N-(4-hydroxy-2-nitrophenyl)acetamide
SMILESNCCOCC(=O)Nc1ccc(O)cc1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O5/c11-3-4-18-6-10(15)12-8-2-1-7(14)5-9(8)13(16)17/h1-2,5,14H,3-4,6,11H2,(H,12,15)
InChIKeyTURVYGISCHVZIF-UHFFFAOYSA-N
MW255.23 g/mol
LogP0.21
Rot. Bonds6

About 2-(2-aminoethoxy)-N-(4-hydroxy-2-nitrophenyl)acetamide

2-(2-aminoethoxy)-N-(4-hydroxy-2-nitrophenyl)acetamide (PubChem CID 79473716) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-(4-hydroxy-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-(4-hydroxy-2-nitrophenyl)acetamide
PubChem CID79473716
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Name2-(2-aminoethoxy)-N-(4-hydroxy-2-nitrophenyl)acetamide
SMILESNCCOCC(=O)Nc1ccc(O)cc1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O5/c11-3-4-18-6-10(15)12-8-2-1-7(14)5-9(8)13(16)17/h1-2,5,14H,3-4,6,11H2,(H,12,15)
InChIKeyTURVYGISCHVZIF-UHFFFAOYSA-N
XLogP0.21
TPSA127.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

N-(4-hydroxy-2-nitrophenyl)-2-propoxyacetamide
CID 114018733
N-(4-hydroxy-2-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604610
2-(2-aminoethoxy)-N-(2,4-dimethyl-5-nitrophenyl)acetamide
CID 104757812
2-(2-aminoethoxy)-N-(2-bromo-4-methyl-5-nitrophenyl)acetamide
CID 104815312
5-bromo-N-(4-hydroxy-2-nitrophenyl)pentanamide
CID 107908520
2-(2-aminoethoxy)-N-(3-chloro-4-nitrophenyl)acetamide
CID 82864620
N-(4-chloro-2-nitrophenyl)-2-ethoxyacetamide
CID 60719107
2-[1-(aminomethyl)cyclobutyl]-N-(4-hydroxy-2-nitrophenyl)acetamide
CID 81179530
2-(2-aminoethoxy)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 79464169
[2-(4-chloro-2-nitroanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 7790269
3-(ethylamino)-N-(4-hydroxy-2-nitrophenyl)propanamide
CID 62832870
2-(azetidin-3-yl)-N-(4-hydroxy-2-nitrophenyl)acetamide
CID 64616370

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-(4-hydroxy-2-nitrophenyl)acetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-(4-hydroxy-2-nitrophenyl)acetamide (CID 79473716) is 2-(2-aminoethoxy)-N-(4-hydroxy-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-(4-hydroxy-2-nitrophenyl)acetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-(4-hydroxy-2-nitrophenyl)acetamide is NCCOCC(=O)Nc1ccc(O)cc1[N+](=O)[O-].
What is the InChIKey of 2-(2-aminoethoxy)-N-(4-hydroxy-2-nitrophenyl)acetamide?
The InChIKey is TURVYGISCHVZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5/c11-3-4-18-6-10(15)12-8-2-1-7(14)5-9(8)13(16)17/h1-2,5,14H,3-4,6,11H2,(H,12,15).
What are the key properties of 2-(2-aminoethoxy)-N-(4-hydroxy-2-nitrophenyl)acetamide?
2-(2-aminoethoxy)-N-(4-hydroxy-2-nitrophenyl)acetamide has a molecular weight of 255.23 g/mol, XLogP of 0.21, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-(4-hydroxy-2-nitrophenyl)acetamide is sourced from PubChem (CID 79473716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).