2-[4-[3-(2-methoxyethoxy)propanoylamino]naphthalen-1-yl]oxyacetic acid

C18H21NO6 — CID 119219278

IUPAC2-[4-[3-(2-methoxyethoxy)propanoylamino]naphthalen-1-yl]oxyacetic acid
SMILESCOCCOCCC(=O)Nc1ccc(OCC(=O)O)c2ccccc12
InChIInChI=1S/C18H21NO6/c1-23-10-11-24-9-8-17(20)19-15-6-7-16(25-12-18(21)22)14-5-3-2-4-13(14)15/h2-7H,8-12H2,1H3,(H,19,20)(H,21,22)
InChIKeyIXTCPTKUYYYAPH-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.29
Rot. Bonds10

About 2-[4-[3-(2-methoxyethoxy)propanoylamino]naphthalen-1-yl]oxyacetic acid

2-[4-[3-(2-methoxyethoxy)propanoylamino]naphthalen-1-yl]oxyacetic acid (PubChem CID 119219278) has the molecular formula C18H21NO6 and a molecular weight of 347.37 g/mol. Its IUPAC name is 2-[4-[3-(2-methoxyethoxy)propanoylamino]naphthalen-1-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[4-[3-(2-methoxyethoxy)propanoylamino]naphthalen-1-yl]oxyacetic acid
PubChem CID119219278
Molecular FormulaC18H21NO6
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC Name2-[4-[3-(2-methoxyethoxy)propanoylamino]naphthalen-1-yl]oxyacetic acid
SMILESCOCCOCCC(=O)Nc1ccc(OCC(=O)O)c2ccccc12
InChIInChI=1S/C18H21NO6/c1-23-10-11-24-9-8-17(20)19-15-6-7-16(25-12-18(21)22)14-5-3-2-4-13(14)15/h2-7H,8-12H2,1H3,(H,19,20)(H,21,22)
InChIKeyIXTCPTKUYYYAPH-UHFFFAOYSA-N
XLogP2.29
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(3-propan-2-yloxypropanoylamino)naphthalen-1-yl]oxyacetic acid
CID 119219213
2-[4-[(2-butoxyacetyl)amino]naphthalen-1-yl]oxyacetic acid
CID 119219236
2-[4-[(2-pentoxyacetyl)amino]naphthalen-1-yl]oxyacetic acid
CID 119219204
2-[4-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]naphthalen-1-yl]oxyacetic acid
CID 119219249
methyl 2-[4-[[2-(2-methoxyethylamino)acetyl]amino]naphthalen-1-yl]oxyacetate;hydrochloride
CID 119811923
2-[4-[(2-butan-2-yloxyacetyl)amino]naphthalen-1-yl]oxyacetic acid
CID 120522294
2-[4-[3-(5-methyloxolan-2-yl)propanoylamino]naphthalen-1-yl]oxyacetic acid
CID 119219265
2-[4-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]naphthalen-1-yl]oxyacetic acid
CID 119219296
methyl 2-[4-[[2-(methylamino)acetyl]amino]naphthalen-1-yl]oxyacetate
CID 119811908
2-[4-[(3-aminopyrazine-2-carbonyl)amino]naphthalen-1-yl]oxyacetic acid
CID 167953139
2-[4-(2-butylsulfanylpropanoylamino)naphthalen-1-yl]oxyacetic acid
CID 119219227
2-[4-(cyclohex-3-ene-1-carbonylamino)naphthalen-1-yl]oxyacetic acid
CID 119219199

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2-methoxyethoxy)propanoylamino]naphthalen-1-yl]oxyacetic acid?
The IUPAC name of 2-[4-[3-(2-methoxyethoxy)propanoylamino]naphthalen-1-yl]oxyacetic acid (CID 119219278) is 2-[4-[3-(2-methoxyethoxy)propanoylamino]naphthalen-1-yl]oxyacetic acid.
What is the SMILES notation for 2-[4-[3-(2-methoxyethoxy)propanoylamino]naphthalen-1-yl]oxyacetic acid?
The canonical SMILES for 2-[4-[3-(2-methoxyethoxy)propanoylamino]naphthalen-1-yl]oxyacetic acid is COCCOCCC(=O)Nc1ccc(OCC(=O)O)c2ccccc12.
What is the InChIKey of 2-[4-[3-(2-methoxyethoxy)propanoylamino]naphthalen-1-yl]oxyacetic acid?
The InChIKey is IXTCPTKUYYYAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO6/c1-23-10-11-24-9-8-17(20)19-15-6-7-16(25-12-18(21)22)14-5-3-2-4-13(14)15/h2-7H,8-12H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 2-[4-[3-(2-methoxyethoxy)propanoylamino]naphthalen-1-yl]oxyacetic acid?
2-[4-[3-(2-methoxyethoxy)propanoylamino]naphthalen-1-yl]oxyacetic acid has a molecular weight of 347.37 g/mol, XLogP of 2.29, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2-methoxyethoxy)propanoylamino]naphthalen-1-yl]oxyacetic acid is sourced from PubChem (CID 119219278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).