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

C15H18N2O4 — CID 26776141

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(3-ethoxypropyl)acetamide
SMILESCCOCCCNC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H18N2O4/c1-2-21-9-5-8-16-13(18)10-17-14(19)11-6-3-4-7-12(11)15(17)20/h3-4,6-7H,2,5,8-10H2,1H3,(H,16,18)
InChIKeyZRHRZAYSVCPEHT-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.83
Rot. Bonds7

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

2-(1,3-dioxoisoindol-2-yl)-N-(3-ethoxypropyl)acetamide (PubChem CID 26776141) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(3-ethoxypropyl)acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(3-ethoxypropyl)acetamide
PubChem CID26776141
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(3-ethoxypropyl)acetamide
SMILESCCOCCCNC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H18N2O4/c1-2-21-9-5-8-16-13(18)10-17-14(19)11-6-3-4-7-12(11)15(17)20/h3-4,6-7H,2,5,8-10H2,1H3,(H,16,18)
InChIKeyZRHRZAYSVCPEHT-UHFFFAOYSA-N
XLogP0.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-octadecylacetamide
CID 177420701
N-(3-ethoxypropyl)-2-(1,1,4-trioxo-2H-1λ6,2,3-benzothiadiazin-3-yl)acetamide
CID 9103756
2-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylpropyl)acetamide
CID 10469585
N-(2-acetamidoethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110756132
N-(3-ethoxypropyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 27680688
2-(2-ethoxyethoxymethyl)isoindole-1,3-dione
CID 134109727
2-(1,3-dioxoisoindol-2-yl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119502774
N-[2-(3,5-dimethylphenoxy)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 19171375
N-[2-(4-tert-butylphenoxy)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 9017558
2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-ethylacetamide
CID 9017553
N-(3-ethoxypropyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 42987313
N-(3-ethoxypropyl)-2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40781881

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(3-ethoxypropyl)acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(3-ethoxypropyl)acetamide (CID 26776141) is 2-(1,3-dioxoisoindol-2-yl)-N-(3-ethoxypropyl)acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(3-ethoxypropyl)acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(3-ethoxypropyl)acetamide is CCOCCCNC(=O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(3-ethoxypropyl)acetamide?
The InChIKey is ZRHRZAYSVCPEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-2-21-9-5-8-16-13(18)10-17-14(19)11-6-3-4-7-12(11)15(17)20/h3-4,6-7H,2,5,8-10H2,1H3,(H,16,18).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(3-ethoxypropyl)acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-(3-ethoxypropyl)acetamide has a molecular weight of 290.32 g/mol, XLogP of 0.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(3-ethoxypropyl)acetamide is sourced from PubChem (CID 26776141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).