2-[4-[(2-pentoxyacetyl)amino]naphthalen-1-yl]oxyacetic acid

C19H23NO5 — CID 119219204

IUPAC2-[4-[(2-pentoxyacetyl)amino]naphthalen-1-yl]oxyacetic acid
SMILESCCCCCOCC(=O)Nc1ccc(OCC(=O)O)c2ccccc12
InChIInChI=1S/C19H23NO5/c1-2-3-6-11-24-12-18(21)20-16-9-10-17(25-13-19(22)23)15-8-5-4-7-14(15)16/h4-5,7-10H,2-3,6,11-13H2,1H3,(H,20,21)(H,22,23)
InChIKeyMWHNBWRHUORFAW-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.45
Rot. Bonds10

About 2-[4-[(2-pentoxyacetyl)amino]naphthalen-1-yl]oxyacetic acid

2-[4-[(2-pentoxyacetyl)amino]naphthalen-1-yl]oxyacetic acid (PubChem CID 119219204) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-[4-[(2-pentoxyacetyl)amino]naphthalen-1-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[4-[(2-pentoxyacetyl)amino]naphthalen-1-yl]oxyacetic acid
PubChem CID119219204
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC Name2-[4-[(2-pentoxyacetyl)amino]naphthalen-1-yl]oxyacetic acid
SMILESCCCCCOCC(=O)Nc1ccc(OCC(=O)O)c2ccccc12
InChIInChI=1S/C19H23NO5/c1-2-3-6-11-24-12-18(21)20-16-9-10-17(25-13-19(22)23)15-8-5-4-7-14(15)16/h4-5,7-10H,2-3,6,11-13H2,1H3,(H,20,21)(H,22,23)
InChIKeyMWHNBWRHUORFAW-UHFFFAOYSA-N
XLogP3.45
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(2-butoxyacetyl)amino]naphthalen-1-yl]oxyacetic acid
CID 119219236
2-[4-[(2-butan-2-yloxyacetyl)amino]naphthalen-1-yl]oxyacetic acid
CID 120522294
2-[4-[3-(2-methoxyethoxy)propanoylamino]naphthalen-1-yl]oxyacetic acid
CID 119219278
2-[4-(3-propan-2-yloxypropanoylamino)naphthalen-1-yl]oxyacetic acid
CID 119219213
2-[4-(2-butylsulfanylpropanoylamino)naphthalen-1-yl]oxyacetic acid
CID 119219227
2-[4-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]naphthalen-1-yl]oxyacetic acid
CID 119219249
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-(cyclohex-3-ene-1-carbonylamino)naphthalen-1-yl]oxyacetic acid
CID 119219199
N-(5-hydroxynaphthalen-1-yl)-2-propoxyacetamide
CID 107941689
N-(5-amino-2-methoxyphenyl)-2-pentoxyacetamide
CID 43275007

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-pentoxyacetyl)amino]naphthalen-1-yl]oxyacetic acid?
The IUPAC name of 2-[4-[(2-pentoxyacetyl)amino]naphthalen-1-yl]oxyacetic acid (CID 119219204) is 2-[4-[(2-pentoxyacetyl)amino]naphthalen-1-yl]oxyacetic acid.
What is the SMILES notation for 2-[4-[(2-pentoxyacetyl)amino]naphthalen-1-yl]oxyacetic acid?
The canonical SMILES for 2-[4-[(2-pentoxyacetyl)amino]naphthalen-1-yl]oxyacetic acid is CCCCCOCC(=O)Nc1ccc(OCC(=O)O)c2ccccc12.
What is the InChIKey of 2-[4-[(2-pentoxyacetyl)amino]naphthalen-1-yl]oxyacetic acid?
The InChIKey is MWHNBWRHUORFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5/c1-2-3-6-11-24-12-18(21)20-16-9-10-17(25-13-19(22)23)15-8-5-4-7-14(15)16/h4-5,7-10H,2-3,6,11-13H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 2-[4-[(2-pentoxyacetyl)amino]naphthalen-1-yl]oxyacetic acid?
2-[4-[(2-pentoxyacetyl)amino]naphthalen-1-yl]oxyacetic acid has a molecular weight of 345.40 g/mol, XLogP of 3.45, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-pentoxyacetyl)amino]naphthalen-1-yl]oxyacetic acid is sourced from PubChem (CID 119219204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).