2-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-prop-2-enylacetamide

C15H16N2O3 — CID 84558909

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-prop-2-enylacetamide
SMILESC=CCN(CC)C(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H16N2O3/c1-3-9-16(4-2)13(18)10-17-14(19)11-7-5-6-8-12(11)15(17)20/h3,5-8H,1,4,9-10H2,2H3
InChIKeyMYUSDQJNRMLMGI-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.32
Rot. Bonds5

About 2-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-prop-2-enylacetamide

2-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-prop-2-enylacetamide (PubChem CID 84558909) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-prop-2-enylacetamide
PubChem CID84558909
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-prop-2-enylacetamide
SMILESC=CCN(CC)C(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H16N2O3/c1-3-9-16(4-2)13(18)10-17-14(19)11-7-5-6-8-12(11)15(17)20/h3,5-8H,1,4,9-10H2,2H3
InChIKeyMYUSDQJNRMLMGI-UHFFFAOYSA-N
XLogP1.32
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Phosmet
CID 12901
Thalidomide
CID 5426
Phthalimide
CID 6809
N-Methylphthalimide
CID 11074
N-Hydroxyphthalimide
CID 10665
(S)-Thalidomide
CID 92142
3-(1,3-Dihydro-1-oxo-2H-isoindol-2-yl)-2,6-piperidinedione
CID 91585
Phthalimidine
CID 10199
Phosmet oxon
CID 77323
2-Methyl-N,N-diethylbenzamide
CID 75945
N-(2,3-Epoxypropyl)phthalimide
CID 21601
Isopropylphthalimide
CID 67535

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-prop-2-enylacetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-prop-2-enylacetamide (CID 84558909) is 2-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-prop-2-enylacetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-prop-2-enylacetamide is C=CCN(CC)C(=O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-prop-2-enylacetamide?
The InChIKey is MYUSDQJNRMLMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-3-9-16(4-2)13(18)10-17-14(19)11-7-5-6-8-12(11)15(17)20/h3,5-8H,1,4,9-10H2,2H3.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-prop-2-enylacetamide?
2-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-prop-2-enylacetamide has a molecular weight of 272.30 g/mol, XLogP of 1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-prop-2-enylacetamide is sourced from PubChem (CID 84558909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).