2-[[(2R)-1-[2-[(2R)-oxan-2-yl]oxyethyl]-5-oxopyrrolidin-2-yl]methylamino]isoindole-1,3-dione

C20H25N3O5 — CID 139606221

IUPAC2-[[(2R)-1-[2-[(2R)-oxan-2-yl]oxyethyl]-5-oxopyrrolidin-2-yl]methylamino]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1NC[C@H]1CCC(=O)N1CCO[C@@H]1CCCCO1
InChIInChI=1S/C20H25N3O5/c24-17-9-8-14(22(17)10-12-28-18-7-3-4-11-27-18)13-21-23-19(25)15-5-1-2-6-16(15)20(23)26/h1-2,5-6,14,18,21H,3-4,7-13H2/t14-,18-/m1/s1
InChIKeyBEZWBIBYQKIZAK-RDTXWAMCSA-N
MW387.44 g/mol
LogP1.32
Rot. Bonds7

About 2-[[(2R)-1-[2-[(2R)-oxan-2-yl]oxyethyl]-5-oxopyrrolidin-2-yl]methylamino]isoindole-1,3-dione

2-[[(2R)-1-[2-[(2R)-oxan-2-yl]oxyethyl]-5-oxopyrrolidin-2-yl]methylamino]isoindole-1,3-dione (PubChem CID 139606221) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-[[(2R)-1-[2-[(2R)-oxan-2-yl]oxyethyl]-5-oxopyrrolidin-2-yl]methylamino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[(2R)-1-[2-[(2R)-oxan-2-yl]oxyethyl]-5-oxopyrrolidin-2-yl]methylamino]isoindole-1,3-dione
PubChem CID139606221
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC Name2-[[(2R)-1-[2-[(2R)-oxan-2-yl]oxyethyl]-5-oxopyrrolidin-2-yl]methylamino]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1NC[C@H]1CCC(=O)N1CCO[C@@H]1CCCCO1
InChIInChI=1S/C20H25N3O5/c24-17-9-8-14(22(17)10-12-28-18-7-3-4-11-27-18)13-21-23-19(25)15-5-1-2-6-16(15)20(23)26/h1-2,5-6,14,18,21H,3-4,7-13H2/t14-,18-/m1/s1
InChIKeyBEZWBIBYQKIZAK-RDTXWAMCSA-N
XLogP1.32
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(oxan-2-yloxy)ethyl]-3H-indol-2-one
CID 77211492
6-(2-fluorophenyl)-2-[2-[(2S)-oxan-2-yl]oxyethyl]pyridazin-3-one
CID 99842273
5-bromo-1-[2-(oxan-2-yloxy)ethyl]pyridin-2-one
CID 172614475
(5S)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one;(5S)-1-methyl-5-[[(2S)-oxan-2-yl]oxymethyl]pyrrolidin-2-one
CID 155796944
1-[2-(oxan-2-yloxy)ethyl]pyrazole-4-carboxylic acid
CID 22064747
1-[2-[(2S)-oxan-2-yl]oxyethyl]quinolin-4-one
CID 99837452
2-[1-[2-(oxan-2-yloxy)ethyl]-2-oxo-5-phenyl-4,5-dihydro-3H-1,4-benzodiazepin-3-yl]isoindole-1,3-dione
CID 70366070
1-[4-(oxan-2-yloxy)butyl]pyrrolidin-2-one
CID 10977596
2-[2-(oxan-2-yloxy)ethyl]phthalazin-1-one
CID 19979310
2-(2-phenoxyethoxy)oxane
CID 11736193
4-chloro-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrazole
CID 99799549
ethane;3-nitro-9-[2-(oxan-2-yloxy)ethyl]carbazole
CID 145023696

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-1-[2-[(2R)-oxan-2-yl]oxyethyl]-5-oxopyrrolidin-2-yl]methylamino]isoindole-1,3-dione?
The IUPAC name of 2-[[(2R)-1-[2-[(2R)-oxan-2-yl]oxyethyl]-5-oxopyrrolidin-2-yl]methylamino]isoindole-1,3-dione (CID 139606221) is 2-[[(2R)-1-[2-[(2R)-oxan-2-yl]oxyethyl]-5-oxopyrrolidin-2-yl]methylamino]isoindole-1,3-dione.
What is the SMILES notation for 2-[[(2R)-1-[2-[(2R)-oxan-2-yl]oxyethyl]-5-oxopyrrolidin-2-yl]methylamino]isoindole-1,3-dione?
The canonical SMILES for 2-[[(2R)-1-[2-[(2R)-oxan-2-yl]oxyethyl]-5-oxopyrrolidin-2-yl]methylamino]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1NC[C@H]1CCC(=O)N1CCO[C@@H]1CCCCO1.
What is the InChIKey of 2-[[(2R)-1-[2-[(2R)-oxan-2-yl]oxyethyl]-5-oxopyrrolidin-2-yl]methylamino]isoindole-1,3-dione?
The InChIKey is BEZWBIBYQKIZAK-RDTXWAMCSA-N. The full InChI is InChI=1S/C20H25N3O5/c24-17-9-8-14(22(17)10-12-28-18-7-3-4-11-27-18)13-21-23-19(25)15-5-1-2-6-16(15)20(23)26/h1-2,5-6,14,18,21H,3-4,7-13H2/t14-,18-/m1/s1.
What are the key properties of 2-[[(2R)-1-[2-[(2R)-oxan-2-yl]oxyethyl]-5-oxopyrrolidin-2-yl]methylamino]isoindole-1,3-dione?
2-[[(2R)-1-[2-[(2R)-oxan-2-yl]oxyethyl]-5-oxopyrrolidin-2-yl]methylamino]isoindole-1,3-dione has a molecular weight of 387.44 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-1-[2-[(2R)-oxan-2-yl]oxyethyl]-5-oxopyrrolidin-2-yl]methylamino]isoindole-1,3-dione is sourced from PubChem (CID 139606221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).