N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-ethoxynaphthalene-2-carboxamide

C26H23N3O5 — CID 166819440

IUPACN-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-ethoxynaphthalene-2-carboxamide
SMILESCCOc1ccc2cc(C(=O)Nc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)ccc2c1
InChIInChI=1S/C26H23N3O5/c1-2-34-20-7-5-15-11-17(4-3-16(15)13-20)24(31)27-19-6-8-21-18(12-19)14-29(26(21)33)22-9-10-23(30)28-25(22)32/h3-8,11-13,22H,2,9-10,14H2,1H3,(H,27,31)(H,28,30,32)
InChIKeyRMDIWTMEVMFWCD-UHFFFAOYSA-N
MW457.49 g/mol
LogP3.25
Rot. Bonds5

About N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-ethoxynaphthalene-2-carboxamide

N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-ethoxynaphthalene-2-carboxamide (PubChem CID 166819440) has the molecular formula C26H23N3O5 and a molecular weight of 457.49 g/mol. Its IUPAC name is N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-ethoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-ethoxynaphthalene-2-carboxamide
PubChem CID166819440
Molecular FormulaC26H23N3O5
Molecular Weight457.49 g/mol
Exact Mass457.16
IUPAC NameN-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-ethoxynaphthalene-2-carboxamide
SMILESCCOc1ccc2cc(C(=O)Nc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)ccc2c1
InChIInChI=1S/C26H23N3O5/c1-2-34-20-7-5-15-11-17(4-3-16(15)13-20)24(31)27-19-6-8-21-18(12-19)14-29(26(21)33)22-9-10-23(30)28-25(22)32/h3-8,11-13,22H,2,9-10,14H2,1H3,(H,27,31)(H,28,30,32)
InChIKeyRMDIWTMEVMFWCD-UHFFFAOYSA-N
XLogP3.25
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-ethoxynaphthalene-2-carboxamide?
The IUPAC name of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-ethoxynaphthalene-2-carboxamide (CID 166819440) is N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-ethoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-ethoxynaphthalene-2-carboxamide?
The canonical SMILES for N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-ethoxynaphthalene-2-carboxamide is CCOc1ccc2cc(C(=O)Nc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)ccc2c1.
What is the InChIKey of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-ethoxynaphthalene-2-carboxamide?
The InChIKey is RMDIWTMEVMFWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O5/c1-2-34-20-7-5-15-11-17(4-3-16(15)13-20)24(31)27-19-6-8-21-18(12-19)14-29(26(21)33)22-9-10-23(30)28-25(22)32/h3-8,11-13,22H,2,9-10,14H2,1H3,(H,27,31)(H,28,30,32).
What are the key properties of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-ethoxynaphthalene-2-carboxamide?
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-ethoxynaphthalene-2-carboxamide has a molecular weight of 457.49 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-ethoxynaphthalene-2-carboxamide is sourced from PubChem (CID 166819440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).