2-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-pyrrolidin-3-ylacetamide

C16H19N3O3 — CID 82177104

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-pyrrolidin-3-ylacetamide
SMILESCCN(C(=O)CN1C(=O)c2ccccc2C1=O)C1CCNC1
InChIInChI=1S/C16H19N3O3/c1-2-18(11-7-8-17-9-11)14(20)10-19-15(21)12-5-3-4-6-13(12)16(19)22/h3-6,11,17H,2,7-10H2,1H3
InChIKeyIALHRXSAJGVKDI-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.49
Rot. Bonds4

About 2-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-pyrrolidin-3-ylacetamide

2-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-pyrrolidin-3-ylacetamide (PubChem CID 82177104) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-pyrrolidin-3-ylacetamide
PubChem CID82177104
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-pyrrolidin-3-ylacetamide
SMILESCCN(C(=O)CN1C(=O)c2ccccc2C1=O)C1CCNC1
InChIInChI=1S/C16H19N3O3/c1-2-18(11-7-8-17-9-11)14(20)10-19-15(21)12-5-3-4-6-13(12)16(19)22/h3-6,11,17H,2,7-10H2,1H3
InChIKeyIALHRXSAJGVKDI-UHFFFAOYSA-N
XLogP0.49
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-N-ethyl-N-pyrrolidin-3-ylacetamide
CID 63299515
N-ethyl-2-(4-hydroxyphenyl)-N-pyrrolidin-3-ylacetamide
CID 60807189
N-ethyl-2-(1H-indol-3-yl)-N-pyrrolidin-3-ylacetamide
CID 63299295
2-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-phenylacetamide
CID 884073
2-[2-[methyl(piperidin-4-yl)amino]ethyl]isoindole-1,3-dione
CID 43607537
N-ethyl-2-methylsulfanyl-N-pyrrolidin-3-ylbenzamide
CID 79217551
2-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzamide
CID 55026177
2-(1,3-dioxoisoindol-2-yl)acetic acid;piperazine
CID 21152099
2-(6-oxo-3-phenylpyridazin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 119531551
2-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-prop-2-enylacetamide
CID 84558909
N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide
CID 11536862
3-chloro-N-ethyl-N-pyrrolidin-3-ylpropanamide
CID 165439782

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-pyrrolidin-3-ylacetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-pyrrolidin-3-ylacetamide (CID 82177104) is 2-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-pyrrolidin-3-ylacetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-pyrrolidin-3-ylacetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-pyrrolidin-3-ylacetamide is CCN(C(=O)CN1C(=O)c2ccccc2C1=O)C1CCNC1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-pyrrolidin-3-ylacetamide?
The InChIKey is IALHRXSAJGVKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-2-18(11-7-8-17-9-11)14(20)10-19-15(21)12-5-3-4-6-13(12)16(19)22/h3-6,11,17H,2,7-10H2,1H3.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-pyrrolidin-3-ylacetamide?
2-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-pyrrolidin-3-ylacetamide has a molecular weight of 301.35 g/mol, XLogP of 0.49, 4 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-ethyl-N-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 82177104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).