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

C28H27N3O5 — CID 166819519

IUPAC6-butoxy-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]naphthalene-2-carboxamide
SMILESCCCCOc1ccc2cc(C(=O)Nc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)ccc2c1
InChIInChI=1S/C28H27N3O5/c1-2-3-12-36-22-8-6-17-13-19(5-4-18(17)15-22)26(33)29-21-7-9-23-20(14-21)16-31(28(23)35)24-10-11-25(32)30-27(24)34/h4-9,13-15,24H,2-3,10-12,16H2,1H3,(H,29,33)(H,30,32,34)
InChIKeyLGICWZWRXNEGBB-UHFFFAOYSA-N
MW485.54 g/mol
LogP4.03
Rot. Bonds7

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

6-butoxy-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]naphthalene-2-carboxamide (PubChem CID 166819519) has the molecular formula C28H27N3O5 and a molecular weight of 485.54 g/mol. Its IUPAC name is 6-butoxy-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-butoxy-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]naphthalene-2-carboxamide
PubChem CID166819519
Molecular FormulaC28H27N3O5
Molecular Weight485.54 g/mol
Exact Mass485.20
IUPAC Name6-butoxy-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]naphthalene-2-carboxamide
SMILESCCCCOc1ccc2cc(C(=O)Nc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)ccc2c1
InChIInChI=1S/C28H27N3O5/c1-2-3-12-36-22-8-6-17-13-19(5-4-18(17)15-22)26(33)29-21-7-9-23-20(14-21)16-31(28(23)35)24-10-11-25(32)30-27(24)34/h4-9,13-15,24H,2-3,10-12,16H2,1H3,(H,29,33)(H,30,32,34)
InChIKeyLGICWZWRXNEGBB-UHFFFAOYSA-N
XLogP4.03
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 6-butoxy-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]naphthalene-2-carboxamide?
The IUPAC name of 6-butoxy-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]naphthalene-2-carboxamide (CID 166819519) is 6-butoxy-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]naphthalene-2-carboxamide.
What is the SMILES notation for 6-butoxy-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]naphthalene-2-carboxamide?
The canonical SMILES for 6-butoxy-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]naphthalene-2-carboxamide is CCCCOc1ccc2cc(C(=O)Nc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)ccc2c1.
What is the InChIKey of 6-butoxy-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]naphthalene-2-carboxamide?
The InChIKey is LGICWZWRXNEGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O5/c1-2-3-12-36-22-8-6-17-13-19(5-4-18(17)15-22)26(33)29-21-7-9-23-20(14-21)16-31(28(23)35)24-10-11-25(32)30-27(24)34/h4-9,13-15,24H,2-3,10-12,16H2,1H3,(H,29,33)(H,30,32,34).
What are the key properties of 6-butoxy-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]naphthalene-2-carboxamide?
6-butoxy-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]naphthalene-2-carboxamide has a molecular weight of 485.54 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxy-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 166819519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).