2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide

C16H19N3O4 — CID 4629546

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)NCCN1CCOCC1
InChIInChI=1S/C16H19N3O4/c20-14(17-5-6-18-7-9-23-10-8-18)11-19-15(21)12-3-1-2-4-13(12)16(19)22/h1-4H,5-11H2,(H,17,20)
InChIKeyNGKIVUBSQNJYFT-UHFFFAOYSA-N
MW317.34 g/mol
LogP-0.27
Rot. Bonds5

About 2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide

2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 4629546) has the molecular formula C16H19N3O4 and a molecular weight of 317.34 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID4629546
Molecular FormulaC16H19N3O4
Molecular Weight317.34 g/mol
Exact Mass317.14
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)NCCN1CCOCC1
InChIInChI=1S/C16H19N3O4/c20-14(17-5-6-18-7-9-23-10-8-18)11-19-15(21)12-3-1-2-4-13(12)16(19)22/h1-4H,5-11H2,(H,17,20)
InChIKeyNGKIVUBSQNJYFT-UHFFFAOYSA-N
XLogP-0.27
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 108874898
N-[4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]phenyl]-2-morpholin-4-ylacetamide
CID 16612015
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108874905
N-(2-morpholin-4-ylethyl)-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide
CID 20908953
1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108889443
N-(2-morpholin-4-ylethyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 3262033
2-(12-morpholin-4-yldodecyl)isoindole-1,3-dione
CID 56974133
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride
CID 138397580
2-(1,3-dioxoisoindol-2-yl)-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]acetamide
CID 84558804
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 108994922
2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 92696140
2-(1,3-dioxoisoindol-2-yl)-N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]acetamide
CID 29196348

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide (CID 4629546) is 2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide is O=C(CN1C(=O)c2ccccc2C1=O)NCCN1CCOCC1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is NGKIVUBSQNJYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c20-14(17-5-6-18-7-9-23-10-8-18)11-19-15(21)12-3-1-2-4-13(12)16(19)22/h1-4H,5-11H2,(H,17,20).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 317.34 g/mol, XLogP of -0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 4629546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).