2-(1,3-dioxoisoindol-2-yl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride

C13H16ClN3O3 — CID 119502774

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
SMILESCNCCNC(=O)CN1C(=O)c2ccccc2C1=O.Cl
InChIInChI=1S/C13H15N3O3.ClH/c1-14-6-7-15-11(17)8-16-12(18)9-4-2-3-5-10(9)13(16)19;/h2-5,14H,6-8H2,1H3,(H,15,17);1H
InChIKeyWOPLJNZNHHDAIQ-UHFFFAOYSA-N
MW297.74 g/mol
LogP0.04
Rot. Bonds5

About 2-(1,3-dioxoisoindol-2-yl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride

2-(1,3-dioxoisoindol-2-yl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride (PubChem CID 119502774) has the molecular formula C13H16ClN3O3 and a molecular weight of 297.74 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
PubChem CID119502774
Molecular FormulaC13H16ClN3O3
Molecular Weight297.74 g/mol
Exact Mass297.09
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
SMILESCNCCNC(=O)CN1C(=O)c2ccccc2C1=O.Cl
InChIInChI=1S/C13H15N3O3.ClH/c1-14-6-7-15-11(17)8-16-12(18)9-4-2-3-5-10(9)13(16)19;/h2-5,14H,6-8H2,1H3,(H,15,17);1H
InChIKeyWOPLJNZNHHDAIQ-UHFFFAOYSA-N
XLogP0.04
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 50.04
H-Bond Donors ≤ 52
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

N-(2-acetamidoethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110756132
2-(1,3-dioxoisoindol-2-yl)-N-octadecylacetamide
CID 177420701
N-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]ethyl]-4-methylbenzamide
CID 108537946
2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
CID 2787083
2-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylpropyl)acetamide
CID 10469585
2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-ethylacetamide
CID 9017553
2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 699193
N-[2-(cycloheptylamino)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide;hydrochloride
CID 119620644
2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-propan-2-ylacetamide
CID 9017561
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
N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-(methylamino)butanamide
CID 119783914

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride (CID 119502774) is 2-(1,3-dioxoisoindol-2-yl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride is CNCCNC(=O)CN1C(=O)c2ccccc2C1=O.Cl.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride?
The InChIKey is WOPLJNZNHHDAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3.ClH/c1-14-6-7-15-11(17)8-16-12(18)9-4-2-3-5-10(9)13(16)19;/h2-5,14H,6-8H2,1H3,(H,15,17);1H.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride?
2-(1,3-dioxoisoindol-2-yl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride has a molecular weight of 297.74 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 119502774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).