2-[benzoyl(hydroxy)amino]ethyl naphthalene-2-carboxylate

C20H17NO4 — CID 88683647

IUPAC2-[benzoyl(hydroxy)amino]ethyl naphthalene-2-carboxylate
SMILESO=C(OCCN(O)C(=O)c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C20H17NO4/c22-19(16-7-2-1-3-8-16)21(24)12-13-25-20(23)18-11-10-15-6-4-5-9-17(15)14-18/h1-11,14,24H,12-13H2
InChIKeyQNPMBHZZOUOPRD-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.53
Rot. Bonds5

About 2-[benzoyl(hydroxy)amino]ethyl naphthalene-2-carboxylate

2-[benzoyl(hydroxy)amino]ethyl naphthalene-2-carboxylate (PubChem CID 88683647) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-[benzoyl(hydroxy)amino]ethyl naphthalene-2-carboxylate.

Molecular Properties

Compound Name2-[benzoyl(hydroxy)amino]ethyl naphthalene-2-carboxylate
PubChem CID88683647
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name2-[benzoyl(hydroxy)amino]ethyl naphthalene-2-carboxylate
SMILESO=C(OCCN(O)C(=O)c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C20H17NO4/c22-19(16-7-2-1-3-8-16)21(24)12-13-25-20(23)18-11-10-15-6-4-5-9-17(15)14-18/h1-11,14,24H,12-13H2
InChIKeyQNPMBHZZOUOPRD-UHFFFAOYSA-N
XLogP3.53
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(N-methylanilino)ethyl naphthalene-2-carboxylate
CID 70658913
[4-(naphthalene-2-carbonyloxymethyl)cyclohexyl]methyl naphthalene-2-carboxylate
CID 59172646
[2-oxo-2-(4-phenylphenyl)ethyl] naphthalene-2-carboxylate
CID 7698509
5-aminopentyl anthracene-2-carboxylate
CID 71321351
[formyl(methyl)amino]methyl naphthalene-2-carboxylate
CID 71741120
2-propoxyethyl anthracene-2-carboxylate
CID 86199695
2-[2-(2-methylbutanoyloxy)ethoxy]ethyl naphthalene-2-carboxylate
CID 23531659
[2-(N-ethylanilino)-2-oxoethyl] naphthalene-2-carboxylate
CID 2507754
2-(4-benzoyloxyphenyl)ethyl 6-benzoyloxynaphthalene-2-carboxylate
CID 142376943
(2-hydroxy-3-phenoxypropyl) naphthalene-2-carboxylate
CID 23569597
(2-benzoyloxy-1,2-dinaphthalen-2-ylethenyl) benzoate
CID 134263039
2-(dimethylamino)ethyl benzoate;hydroiodide
CID 2752377

Frequently Asked Questions

What is the IUPAC name of 2-[benzoyl(hydroxy)amino]ethyl naphthalene-2-carboxylate?
The IUPAC name of 2-[benzoyl(hydroxy)amino]ethyl naphthalene-2-carboxylate (CID 88683647) is 2-[benzoyl(hydroxy)amino]ethyl naphthalene-2-carboxylate.
What is the SMILES notation for 2-[benzoyl(hydroxy)amino]ethyl naphthalene-2-carboxylate?
The canonical SMILES for 2-[benzoyl(hydroxy)amino]ethyl naphthalene-2-carboxylate is O=C(OCCN(O)C(=O)c1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of 2-[benzoyl(hydroxy)amino]ethyl naphthalene-2-carboxylate?
The InChIKey is QNPMBHZZOUOPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c22-19(16-7-2-1-3-8-16)21(24)12-13-25-20(23)18-11-10-15-6-4-5-9-17(15)14-18/h1-11,14,24H,12-13H2.
What are the key properties of 2-[benzoyl(hydroxy)amino]ethyl naphthalene-2-carboxylate?
2-[benzoyl(hydroxy)amino]ethyl naphthalene-2-carboxylate has a molecular weight of 335.36 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzoyl(hydroxy)amino]ethyl naphthalene-2-carboxylate is sourced from PubChem (CID 88683647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).