2-[(2-hydroxybenzoyl)amino]ethyl nitrate

C9H10N2O5 — CID 23176246

IUPAC2-[(2-hydroxybenzoyl)amino]ethyl nitrate
SMILESO=C(NCCO[N+](=O)[O-])c1ccccc1O
InChIInChI=1S/C9H10N2O5/c12-8-4-2-1-3-7(8)9(13)10-5-6-16-11(14)15/h1-4,12H,5-6H2,(H,10,13)
InChIKeyOGTUXCIALLXMKK-UHFFFAOYSA-N
MW226.19 g/mol
LogP0.33
Rot. Bonds5

About 2-[(2-hydroxybenzoyl)amino]ethyl nitrate

2-[(2-hydroxybenzoyl)amino]ethyl nitrate (PubChem CID 23176246) has the molecular formula C9H10N2O5 and a molecular weight of 226.19 g/mol. Its IUPAC name is 2-[(2-hydroxybenzoyl)amino]ethyl nitrate.

Molecular Properties

Compound Name2-[(2-hydroxybenzoyl)amino]ethyl nitrate
PubChem CID23176246
Molecular FormulaC9H10N2O5
Molecular Weight226.19 g/mol
Exact Mass226.06
IUPAC Name2-[(2-hydroxybenzoyl)amino]ethyl nitrate
SMILESO=C(NCCO[N+](=O)[O-])c1ccccc1O
InChIInChI=1S/C9H10N2O5/c12-8-4-2-1-3-7(8)9(13)10-5-6-16-11(14)15/h1-4,12H,5-6H2,(H,10,13)
InChIKeyOGTUXCIALLXMKK-UHFFFAOYSA-N
XLogP0.33
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-benzamidoethyl nitrate
CID 10536408
2-[(2-sulfanylidene-1H-pyridine-3-carbonyl)amino]ethyl nitrate
CID 18717838
2-hydroxy-N-[2-[(4-nitrobenzoyl)amino]ethyl]benzamide
CID 60572009
2-hydroxy-N-[2-[2-[2-[(2-hydroxybenzoyl)amino]ethylamino]ethylamino]ethyl]benzamide
CID 101177175
2-hydroxy-N-(2-phenylsulfanylethyl)benzamide
CID 27887658
2-hydroxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 83039586
phenyl N-(2-nitrooxyethyl)carbamate
CID 15839956
N-[2-(2,6-dimethylphenoxy)ethyl]-2-hydroxybenzamide
CID 17386421
[2-(5-nitrooxypentylcarbamoyl)phenyl] acetate
CID 69089144
2-hydroxy-N-[2-(3-methoxypropanoylamino)ethyl]benzamide
CID 108540071
1-N,2-N-bis(2-methoxyethyl)benzene-1,2-dicarboxamide
CID 4574574
2-[[2-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]amino]ethyl nitrate
CID 15678842

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxybenzoyl)amino]ethyl nitrate?
The IUPAC name of 2-[(2-hydroxybenzoyl)amino]ethyl nitrate (CID 23176246) is 2-[(2-hydroxybenzoyl)amino]ethyl nitrate.
What is the SMILES notation for 2-[(2-hydroxybenzoyl)amino]ethyl nitrate?
The canonical SMILES for 2-[(2-hydroxybenzoyl)amino]ethyl nitrate is O=C(NCCO[N+](=O)[O-])c1ccccc1O.
What is the InChIKey of 2-[(2-hydroxybenzoyl)amino]ethyl nitrate?
The InChIKey is OGTUXCIALLXMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O5/c12-8-4-2-1-3-7(8)9(13)10-5-6-16-11(14)15/h1-4,12H,5-6H2,(H,10,13).
What are the key properties of 2-[(2-hydroxybenzoyl)amino]ethyl nitrate?
2-[(2-hydroxybenzoyl)amino]ethyl nitrate has a molecular weight of 226.19 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxybenzoyl)amino]ethyl nitrate is sourced from PubChem (CID 23176246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).