N-cyclooctyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzamide

C26H30N2O4 — CID 2533311

IUPACN-cyclooctyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzamide
SMILESCCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)NC1CCCCCCC1
InChIInChI=1S/C26H30N2O4/c1-2-32-23-15-14-18(17-28-25(30)20-12-8-9-13-21(20)26(28)31)16-22(23)24(29)27-19-10-6-4-3-5-7-11-19/h8-9,12-16,19H,2-7,10-11,17H2,1H3,(H,27,29)
InChIKeyWXFHQMYVNDHTPF-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.72
Rot. Bonds6

About N-cyclooctyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzamide

N-cyclooctyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzamide (PubChem CID 2533311) has the molecular formula C26H30N2O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-cyclooctyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-cyclooctyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzamide
PubChem CID2533311
Molecular FormulaC26H30N2O4
Molecular Weight434.54 g/mol
Exact Mass434.22
IUPAC NameN-cyclooctyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzamide
SMILESCCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)NC1CCCCCCC1
InChIInChI=1S/C26H30N2O4/c1-2-32-23-15-14-18(17-28-25(30)20-12-8-9-13-21(20)26(28)31)16-22(23)24(29)27-19-10-6-4-3-5-7-11-19/h8-9,12-16,19H,2-7,10-11,17H2,1H3,(H,27,29)
InChIKeyWXFHQMYVNDHTPF-UHFFFAOYSA-N
XLogP4.72
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-cyclooctyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzamide?
The IUPAC name of N-cyclooctyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzamide (CID 2533311) is N-cyclooctyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzamide.
What is the SMILES notation for N-cyclooctyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzamide?
The canonical SMILES for N-cyclooctyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzamide is CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)NC1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzamide?
The InChIKey is WXFHQMYVNDHTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4/c1-2-32-23-15-14-18(17-28-25(30)20-12-8-9-13-21(20)26(28)31)16-22(23)24(29)27-19-10-6-4-3-5-7-11-19/h8-9,12-16,19H,2-7,10-11,17H2,1H3,(H,27,29).
What are the key properties of N-cyclooctyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzamide?
N-cyclooctyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzamide has a molecular weight of 434.54 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzamide is sourced from PubChem (CID 2533311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).