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

C27H25N3O5 — CID 166819417

IUPACN-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-propan-2-yloxynaphthalene-2-carboxamide
SMILESCC(C)Oc1ccc2cc(C(=O)Nc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)ccc2c1
InChIInChI=1S/C27H25N3O5/c1-15(2)35-21-7-5-16-11-18(4-3-17(16)13-21)25(32)28-20-6-8-22-19(12-20)14-30(27(22)34)23-9-10-24(31)29-26(23)33/h3-8,11-13,15,23H,9-10,14H2,1-2H3,(H,28,32)(H,29,31,33)
InChIKeyLOMMSRKZDWHERH-UHFFFAOYSA-N
MW471.51 g/mol
LogP3.64
Rot. Bonds5

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

N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-propan-2-yloxynaphthalene-2-carboxamide (PubChem CID 166819417) has the molecular formula C27H25N3O5 and a molecular weight of 471.51 g/mol. Its IUPAC name is N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-propan-2-yloxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-propan-2-yloxynaphthalene-2-carboxamide
PubChem CID166819417
Molecular FormulaC27H25N3O5
Molecular Weight471.51 g/mol
Exact Mass471.18
IUPAC NameN-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-propan-2-yloxynaphthalene-2-carboxamide
SMILESCC(C)Oc1ccc2cc(C(=O)Nc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)ccc2c1
InChIInChI=1S/C27H25N3O5/c1-15(2)35-21-7-5-16-11-18(4-3-17(16)13-21)25(32)28-20-6-8-22-19(12-20)14-30(27(22)34)23-9-10-24(31)29-26(23)33/h3-8,11-13,15,23H,9-10,14H2,1-2H3,(H,28,32)(H,29,31,33)
InChIKeyLOMMSRKZDWHERH-UHFFFAOYSA-N
XLogP3.64
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 53.64
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-propan-2-yloxynaphthalene-2-carboxamide?
The IUPAC name of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-propan-2-yloxynaphthalene-2-carboxamide (CID 166819417) is N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-propan-2-yloxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-propan-2-yloxynaphthalene-2-carboxamide?
The canonical SMILES for N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-propan-2-yloxynaphthalene-2-carboxamide is CC(C)Oc1ccc2cc(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-propan-2-yloxynaphthalene-2-carboxamide?
The InChIKey is LOMMSRKZDWHERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O5/c1-15(2)35-21-7-5-16-11-18(4-3-17(16)13-21)25(32)28-20-6-8-22-19(12-20)14-30(27(22)34)23-9-10-24(31)29-26(23)33/h3-8,11-13,15,23H,9-10,14H2,1-2H3,(H,28,32)(H,29,31,33).
What are the key properties of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-propan-2-yloxynaphthalene-2-carboxamide?
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-propan-2-yloxynaphthalene-2-carboxamide has a molecular weight of 471.51 g/mol, XLogP of 3.64, 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-propan-2-yloxynaphthalene-2-carboxamide is sourced from PubChem (CID 166819417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).