2-[1,3-dioxo-4-[2-(2-propoxyethoxy)ethylamino]isoindol-2-yl]-N-methyl-5-oxopentanamide

C21H29N3O6 — CID 155484544

IUPAC2-[1,3-dioxo-4-[2-(2-propoxyethoxy)ethylamino]isoindol-2-yl]-N-methyl-5-oxopentanamide
SMILESCCCOCCOCCNc1cccc2c1C(=O)N(C(CCC=O)C(=O)NC)C2=O
InChIInChI=1S/C21H29N3O6/c1-3-11-29-13-14-30-12-9-23-16-7-4-6-15-18(16)21(28)24(20(15)27)17(8-5-10-25)19(26)22-2/h4,6-7,10,17,23H,3,5,8-9,11-14H2,1-2H3,(H,22,26)
InChIKeyULYDZVRPMIDTJT-UHFFFAOYSA-N
MW419.48 g/mol
LogP1.23
Rot. Bonds14

About 2-[1,3-dioxo-4-[2-(2-propoxyethoxy)ethylamino]isoindol-2-yl]-N-methyl-5-oxopentanamide

2-[1,3-dioxo-4-[2-(2-propoxyethoxy)ethylamino]isoindol-2-yl]-N-methyl-5-oxopentanamide (PubChem CID 155484544) has the molecular formula C21H29N3O6 and a molecular weight of 419.48 g/mol. Its IUPAC name is 2-[1,3-dioxo-4-[2-(2-propoxyethoxy)ethylamino]isoindol-2-yl]-N-methyl-5-oxopentanamide.

Molecular Properties

Compound Name2-[1,3-dioxo-4-[2-(2-propoxyethoxy)ethylamino]isoindol-2-yl]-N-methyl-5-oxopentanamide
PubChem CID155484544
Molecular FormulaC21H29N3O6
Molecular Weight419.48 g/mol
Exact Mass419.21
IUPAC Name2-[1,3-dioxo-4-[2-(2-propoxyethoxy)ethylamino]isoindol-2-yl]-N-methyl-5-oxopentanamide
SMILESCCCOCCOCCNc1cccc2c1C(=O)N(C(CCC=O)C(=O)NC)C2=O
InChIInChI=1S/C21H29N3O6/c1-3-11-29-13-14-30-12-9-23-16-7-4-6-15-18(16)21(28)24(20(15)27)17(8-5-10-25)19(26)22-2/h4,6-7,10,17,23H,3,5,8-9,11-14H2,1-2H3,(H,22,26)
InChIKeyULYDZVRPMIDTJT-UHFFFAOYSA-N
XLogP1.23
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1,3-dioxo-4-[2-(2-propoxyethoxy)ethylamino]isoindol-2-yl]-N-methyl-5-oxopentanamide?
The IUPAC name of 2-[1,3-dioxo-4-[2-(2-propoxyethoxy)ethylamino]isoindol-2-yl]-N-methyl-5-oxopentanamide (CID 155484544) is 2-[1,3-dioxo-4-[2-(2-propoxyethoxy)ethylamino]isoindol-2-yl]-N-methyl-5-oxopentanamide.
What is the SMILES notation for 2-[1,3-dioxo-4-[2-(2-propoxyethoxy)ethylamino]isoindol-2-yl]-N-methyl-5-oxopentanamide?
The canonical SMILES for 2-[1,3-dioxo-4-[2-(2-propoxyethoxy)ethylamino]isoindol-2-yl]-N-methyl-5-oxopentanamide is CCCOCCOCCNc1cccc2c1C(=O)N(C(CCC=O)C(=O)NC)C2=O.
What is the InChIKey of 2-[1,3-dioxo-4-[2-(2-propoxyethoxy)ethylamino]isoindol-2-yl]-N-methyl-5-oxopentanamide?
The InChIKey is ULYDZVRPMIDTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O6/c1-3-11-29-13-14-30-12-9-23-16-7-4-6-15-18(16)21(28)24(20(15)27)17(8-5-10-25)19(26)22-2/h4,6-7,10,17,23H,3,5,8-9,11-14H2,1-2H3,(H,22,26).
What are the key properties of 2-[1,3-dioxo-4-[2-(2-propoxyethoxy)ethylamino]isoindol-2-yl]-N-methyl-5-oxopentanamide?
2-[1,3-dioxo-4-[2-(2-propoxyethoxy)ethylamino]isoindol-2-yl]-N-methyl-5-oxopentanamide has a molecular weight of 419.48 g/mol, XLogP of 1.23, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-dioxo-4-[2-(2-propoxyethoxy)ethylamino]isoindol-2-yl]-N-methyl-5-oxopentanamide is sourced from PubChem (CID 155484544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).