2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-ethylacetamide

C14H15N3O4 — CID 9017553

IUPAC2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-ethylacetamide
SMILESCCNC(=O)CNC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H15N3O4/c1-2-15-11(18)7-16-12(19)8-17-13(20)9-5-3-4-6-10(9)14(17)21/h3-6H,2,7-8H2,1H3,(H,15,18)(H,16,19)
InChIKeyPJWVJWFSZHOAGI-UHFFFAOYSA-N
MW289.29 g/mol
LogP-0.47
Rot. Bonds5

About 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-ethylacetamide

2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-ethylacetamide (PubChem CID 9017553) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-ethylacetamide
PubChem CID9017553
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-ethylacetamide
SMILESCCNC(=O)CNC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H15N3O4/c1-2-15-11(18)7-16-12(19)8-17-13(20)9-5-3-4-6-10(9)14(17)21/h3-6H,2,7-8H2,1H3,(H,15,18)(H,16,19)
InChIKeyPJWVJWFSZHOAGI-UHFFFAOYSA-N
XLogP-0.47
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetyl]amino]acetic acid
CID 3022943
methyl 2-[[2-[[2-[[2-[[2-[[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate
CID 101433212
2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-propan-2-ylacetamide
CID 9017561
N-(2,6-dimethylphenyl)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetamide
CID 7535563
2-(1,3-dioxoisoindol-2-yl)-N-octadecylacetamide
CID 177420701
N-(2-acetamidoethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110756132
2-(1,3-dioxoisoindol-2-yl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119502774
2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
CID 2787083
(4-methylphenyl) 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetate
CID 110670574
2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 874332
2-(1,3-dioxoisoindol-2-yl)-N-(3-ethoxypropyl)acetamide
CID 26776141
(2-methylphenyl) 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetate
CID 110670277

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-ethylacetamide?
The IUPAC name of 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-ethylacetamide (CID 9017553) is 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-ethylacetamide.
What is the SMILES notation for 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-ethylacetamide?
The canonical SMILES for 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-ethylacetamide is CCNC(=O)CNC(=O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-ethylacetamide?
The InChIKey is PJWVJWFSZHOAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-2-15-11(18)7-16-12(19)8-17-13(20)9-5-3-4-6-10(9)14(17)21/h3-6H,2,7-8H2,1H3,(H,15,18)(H,16,19).
What are the key properties of 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-ethylacetamide?
2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-ethylacetamide has a molecular weight of 289.29 g/mol, XLogP of -0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-ethylacetamide is sourced from PubChem (CID 9017553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).