1-hydroxy-4-[2-(2-methoxyethylamino)-2-oxoethoxy]naphthalene-2-carboxylic acid

C16H17NO6 — CID 3023257

IUPAC1-hydroxy-4-[2-(2-methoxyethylamino)-2-oxoethoxy]naphthalene-2-carboxylic acid
SMILESCOCCNC(=O)COc1cc(C(=O)O)c(O)c2ccccc12
InChIInChI=1S/C16H17NO6/c1-22-7-6-17-14(18)9-23-13-8-12(16(20)21)15(19)11-5-3-2-4-10(11)13/h2-5,8,19H,6-7,9H2,1H3,(H,17,18)(H,20,21)
InChIKeyKQOISVWHDJYHLJ-UHFFFAOYSA-N
MW319.31 g/mol
LogP1.38
Rot. Bonds7

About 1-hydroxy-4-[2-(2-methoxyethylamino)-2-oxoethoxy]naphthalene-2-carboxylic acid

1-hydroxy-4-[2-(2-methoxyethylamino)-2-oxoethoxy]naphthalene-2-carboxylic acid (PubChem CID 3023257) has the molecular formula C16H17NO6 and a molecular weight of 319.31 g/mol. Its IUPAC name is 1-hydroxy-4-[2-(2-methoxyethylamino)-2-oxoethoxy]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-4-[2-(2-methoxyethylamino)-2-oxoethoxy]naphthalene-2-carboxylic acid
PubChem CID3023257
Molecular FormulaC16H17NO6
Molecular Weight319.31 g/mol
Exact Mass319.11
IUPAC Name1-hydroxy-4-[2-(2-methoxyethylamino)-2-oxoethoxy]naphthalene-2-carboxylic acid
SMILESCOCCNC(=O)COc1cc(C(=O)O)c(O)c2ccccc12
InChIInChI=1S/C16H17NO6/c1-22-7-6-17-14(18)9-23-13-8-12(16(20)21)15(19)11-5-3-2-4-10(11)13/h2-5,8,19H,6-7,9H2,1H3,(H,17,18)(H,20,21)
InChIKeyKQOISVWHDJYHLJ-UHFFFAOYSA-N
XLogP1.38
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-[2-(2-methoxyethylamino)-2-oxoethoxy]benzoic acid
CID 106954846
1-hydroxy-4-[2-(4-methylphenoxy)ethoxy]naphthalene-2-carboxylic acid
CID 54339362
3-[2-(2-methoxyethylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 61380351
2-[2-(aminomethyl)phenoxy]-N-(2-methoxyethyl)acetamide
CID 16788914
2-[2-(3-methoxypropylamino)-2-oxoethoxy]-4-methylbenzoic acid
CID 45293171
2-[2-(ethylaminomethyl)phenoxy]-N-(2-methoxyethyl)acetamide
CID 61487799
2-(2-acetyl-5-methylphenoxy)-N-(2-methoxyethyl)acetamide
CID 60701029
1-amino-4-(2-methoxy-2-oxoethoxy)naphthalene-2-carboxylic acid
CID 80528186
2-(2-amino-4-formylphenoxy)-N-(2-methoxyethyl)acetamide
CID 82057058
N-(2-methoxyethyl)-2-[(2-naphthalen-2-yloxyacetyl)amino]acetamide
CID 24517119
2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(2-methoxyethyl)acetamide
CID 61485540
N-(2-methoxyethyl)-2-(2-prop-2-enylphenoxy)acetamide
CID 2072678

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-[2-(2-methoxyethylamino)-2-oxoethoxy]naphthalene-2-carboxylic acid?
The IUPAC name of 1-hydroxy-4-[2-(2-methoxyethylamino)-2-oxoethoxy]naphthalene-2-carboxylic acid (CID 3023257) is 1-hydroxy-4-[2-(2-methoxyethylamino)-2-oxoethoxy]naphthalene-2-carboxylic acid.
What is the SMILES notation for 1-hydroxy-4-[2-(2-methoxyethylamino)-2-oxoethoxy]naphthalene-2-carboxylic acid?
The canonical SMILES for 1-hydroxy-4-[2-(2-methoxyethylamino)-2-oxoethoxy]naphthalene-2-carboxylic acid is COCCNC(=O)COc1cc(C(=O)O)c(O)c2ccccc12.
What is the InChIKey of 1-hydroxy-4-[2-(2-methoxyethylamino)-2-oxoethoxy]naphthalene-2-carboxylic acid?
The InChIKey is KQOISVWHDJYHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO6/c1-22-7-6-17-14(18)9-23-13-8-12(16(20)21)15(19)11-5-3-2-4-10(11)13/h2-5,8,19H,6-7,9H2,1H3,(H,17,18)(H,20,21).
What are the key properties of 1-hydroxy-4-[2-(2-methoxyethylamino)-2-oxoethoxy]naphthalene-2-carboxylic acid?
1-hydroxy-4-[2-(2-methoxyethylamino)-2-oxoethoxy]naphthalene-2-carboxylic acid has a molecular weight of 319.31 g/mol, XLogP of 1.38, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-[2-(2-methoxyethylamino)-2-oxoethoxy]naphthalene-2-carboxylic acid is sourced from PubChem (CID 3023257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).