2-(2-hydroxyethylamino)ethanol;4-(4-methoxynaphthalen-1-yl)-4-oxobutanoic acid

C19H25NO6 — CID 71587270

IUPAC2-(2-hydroxyethylamino)ethanol;4-(4-methoxynaphthalen-1-yl)-4-oxobutanoic acid
SMILESCOc1ccc(C(=O)CCC(=O)O)c2ccccc12.OCCNCCO
InChIInChI=1S/C15H14O4.C4H11NO2/c1-19-14-8-6-11(13(16)7-9-15(17)18)10-4-2-3-5-12(10)14;6-3-1-5-2-4-7/h2-6,8H,7,9H2,1H3,(H,17,18);5-7H,1-4H2
InChIKeyNYBYAEQEGMYBOZ-UHFFFAOYSA-N
MW363.41 g/mol
LogP1.46
Rot. Bonds9

About 2-(2-hydroxyethylamino)ethanol;4-(4-methoxynaphthalen-1-yl)-4-oxobutanoic acid

2-(2-hydroxyethylamino)ethanol;4-(4-methoxynaphthalen-1-yl)-4-oxobutanoic acid (PubChem CID 71587270) has the molecular formula C19H25NO6 and a molecular weight of 363.41 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)ethanol;4-(4-methoxynaphthalen-1-yl)-4-oxobutanoic acid.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)ethanol;4-(4-methoxynaphthalen-1-yl)-4-oxobutanoic acid
PubChem CID71587270
Molecular FormulaC19H25NO6
Molecular Weight363.41 g/mol
Exact Mass363.17
IUPAC Name2-(2-hydroxyethylamino)ethanol;4-(4-methoxynaphthalen-1-yl)-4-oxobutanoic acid
SMILESCOc1ccc(C(=O)CCC(=O)O)c2ccccc12.OCCNCCO
InChIInChI=1S/C15H14O4.C4H11NO2/c1-19-14-8-6-11(13(16)7-9-15(17)18)10-4-2-3-5-12(10)14;6-3-1-5-2-4-7/h2-6,8H,7,9H2,1H3,(H,17,18);5-7H,1-4H2
InChIKeyNYBYAEQEGMYBOZ-UHFFFAOYSA-N
XLogP1.46
TPSA116.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 51.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methoxynaphthalen-1-yl)-4-oxobutanamide
CID 91102040
2-[2-(4-methoxynaphthalen-1-yl)-2-oxoethoxy]acetic acid
CID 61328364
4-(1-methoxynaphthalen-2-yl)-4-oxobutanoic acid
CID 19782206
1-(4-methoxynaphthalen-1-yl)-2-methylsulfanylethanone
CID 147751459
4-(2-chloro-4-methoxy-3-methylphenyl)-4-oxobutanoic acid
CID 21483945
4-(4-formylnaphthalen-1-yl)-4-oxobutanoic acid
CID 137411551
methyl 4-(4-methylnaphthalen-1-yl)-4-oxobutanoate
CID 82646447
[4-(4-methoxynaphthalen-1-yl)-4-oxobutan-2-yl]-methylsulfanium
CID 149125335
N-cyclopropyl-4-methoxynaphthalene-1-carboxamide
CID 27537333
N-[2-[(4-methoxynaphthalen-1-yl)methylamino]ethyl]acetamide
CID 78974984
4-methoxy-N-[3-(methylamino)propyl]naphthalene-1-carboxamide
CID 119431564
4-(4-fluoro-2-methoxyphenyl)-4-oxobutanoic acid
CID 177184211

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)ethanol;4-(4-methoxynaphthalen-1-yl)-4-oxobutanoic acid?
The IUPAC name of 2-(2-hydroxyethylamino)ethanol;4-(4-methoxynaphthalen-1-yl)-4-oxobutanoic acid (CID 71587270) is 2-(2-hydroxyethylamino)ethanol;4-(4-methoxynaphthalen-1-yl)-4-oxobutanoic acid.
What is the SMILES notation for 2-(2-hydroxyethylamino)ethanol;4-(4-methoxynaphthalen-1-yl)-4-oxobutanoic acid?
The canonical SMILES for 2-(2-hydroxyethylamino)ethanol;4-(4-methoxynaphthalen-1-yl)-4-oxobutanoic acid is COc1ccc(C(=O)CCC(=O)O)c2ccccc12.OCCNCCO.
What is the InChIKey of 2-(2-hydroxyethylamino)ethanol;4-(4-methoxynaphthalen-1-yl)-4-oxobutanoic acid?
The InChIKey is NYBYAEQEGMYBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4.C4H11NO2/c1-19-14-8-6-11(13(16)7-9-15(17)18)10-4-2-3-5-12(10)14;6-3-1-5-2-4-7/h2-6,8H,7,9H2,1H3,(H,17,18);5-7H,1-4H2.
What are the key properties of 2-(2-hydroxyethylamino)ethanol;4-(4-methoxynaphthalen-1-yl)-4-oxobutanoic acid?
2-(2-hydroxyethylamino)ethanol;4-(4-methoxynaphthalen-1-yl)-4-oxobutanoic acid has a molecular weight of 363.41 g/mol, XLogP of 1.46, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)ethanol;4-(4-methoxynaphthalen-1-yl)-4-oxobutanoic acid is sourced from PubChem (CID 71587270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).