2-(1,3-dioxoisoindol-2-yl)-N-(2-phenoxyethoxy)acetamide

C18H16N2O5 — CID 110294678

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(2-phenoxyethoxy)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)NOCCOc1ccccc1
InChIInChI=1S/C18H16N2O5/c21-16(19-25-11-10-24-13-6-2-1-3-7-13)12-20-17(22)14-8-4-5-9-15(14)18(20)23/h1-9H,10-12H2,(H,19,21)
InChIKeyLMAUUHZWZGUNCJ-UHFFFAOYSA-N
MW340.34 g/mol
LogP1.41
Rot. Bonds7

About 2-(1,3-dioxoisoindol-2-yl)-N-(2-phenoxyethoxy)acetamide

2-(1,3-dioxoisoindol-2-yl)-N-(2-phenoxyethoxy)acetamide (PubChem CID 110294678) has the molecular formula C18H16N2O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(2-phenoxyethoxy)acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(2-phenoxyethoxy)acetamide
PubChem CID110294678
Molecular FormulaC18H16N2O5
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(2-phenoxyethoxy)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)NOCCOc1ccccc1
InChIInChI=1S/C18H16N2O5/c21-16(19-25-11-10-24-13-6-2-1-3-7-13)12-20-17(22)14-8-4-5-9-15(14)18(20)23/h1-9H,10-12H2,(H,19,21)
InChIKeyLMAUUHZWZGUNCJ-UHFFFAOYSA-N
XLogP1.41
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-phenoxyethyl 2-(1,3-dioxoisoindol-2-yl)acetate
CID 4682406
N-(2-phenoxyethoxy)-2-phenylacetamide
CID 110294668
N-[2-(4-tert-butylphenoxy)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 9017558
2-(1,3-dioxoisoindol-2-yl)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108551978
2-(2-phenoxyethoxyamino)prop-2-enoic acid
CID 56625837
3-(1-methylidene-3-oxoisoindol-2-yl)-N-(2-phenoxyethyl)propanamide
CID 16597724
2-(1,3-dioxoisoindol-2-yl)ethyl 2-(2-phenoxyethoxy)benzoate
CID 4537323
N-[2-(3,5-dimethylphenoxy)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 19171375
2-(5-nitro-1,3-dioxoisoindol-2-yl)-N-(2-phenoxyethyl)acetamide
CID 8520446
2-(2-methoxyphenoxy)-N-(2-phenoxyethoxy)acetamide
CID 110294693
[2-oxo-2-(2-phenoxyethylamino)ethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8521652
2-(1,3-dioxoisoindol-2-yl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119502774

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(2-phenoxyethoxy)acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(2-phenoxyethoxy)acetamide (CID 110294678) is 2-(1,3-dioxoisoindol-2-yl)-N-(2-phenoxyethoxy)acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(2-phenoxyethoxy)acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(2-phenoxyethoxy)acetamide is O=C(CN1C(=O)c2ccccc2C1=O)NOCCOc1ccccc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(2-phenoxyethoxy)acetamide?
The InChIKey is LMAUUHZWZGUNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5/c21-16(19-25-11-10-24-13-6-2-1-3-7-13)12-20-17(22)14-8-4-5-9-15(14)18(20)23/h1-9H,10-12H2,(H,19,21).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(2-phenoxyethoxy)acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-(2-phenoxyethoxy)acetamide has a molecular weight of 340.34 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(2-phenoxyethoxy)acetamide is sourced from PubChem (CID 110294678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).