2-(1,3-dioxoisoindol-2-yl)-N-[3-(2-ethylhexoxy)propyl]benzamide

C26H32N2O4 — CID 3775546

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[3-(2-ethylhexoxy)propyl]benzamide
SMILESCCCCC(CC)COCCCNC(=O)c1ccccc1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C26H32N2O4/c1-3-5-11-19(4-2)18-32-17-10-16-27-24(29)22-14-8-9-15-23(22)28-25(30)20-12-6-7-13-21(20)26(28)31/h6-9,12-15,19H,3-5,10-11,16-18H2,1-2H3,(H,27,29)
InChIKeyANLNVHCWHUHQFH-UHFFFAOYSA-N
MW436.55 g/mol
LogP4.84
Rot. Bonds12

About 2-(1,3-dioxoisoindol-2-yl)-N-[3-(2-ethylhexoxy)propyl]benzamide

2-(1,3-dioxoisoindol-2-yl)-N-[3-(2-ethylhexoxy)propyl]benzamide (PubChem CID 3775546) has the molecular formula C26H32N2O4 and a molecular weight of 436.55 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[3-(2-ethylhexoxy)propyl]benzamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[3-(2-ethylhexoxy)propyl]benzamide
PubChem CID3775546
Molecular FormulaC26H32N2O4
Molecular Weight436.55 g/mol
Exact Mass436.24
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[3-(2-ethylhexoxy)propyl]benzamide
SMILESCCCCC(CC)COCCCNC(=O)c1ccccc1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C26H32N2O4/c1-3-5-11-19(4-2)18-32-17-10-16-27-24(29)22-14-8-9-15-23(22)28-25(30)20-12-6-7-13-21(20)26(28)31/h6-9,12-15,19H,3-5,10-11,16-18H2,1-2H3,(H,27,29)
InChIKeyANLNVHCWHUHQFH-UHFFFAOYSA-N
XLogP4.84
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-(1,3-dioxoisoindol-2-yl)-N-[3-(2-ethylhexoxy)propyl]benzamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[3-(2-ethylhexoxy)propyl]benzamide (CID 3775546) is 2-(1,3-dioxoisoindol-2-yl)-N-[3-(2-ethylhexoxy)propyl]benzamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[3-(2-ethylhexoxy)propyl]benzamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[3-(2-ethylhexoxy)propyl]benzamide is CCCCC(CC)COCCCNC(=O)c1ccccc1N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[3-(2-ethylhexoxy)propyl]benzamide?
The InChIKey is ANLNVHCWHUHQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O4/c1-3-5-11-19(4-2)18-32-17-10-16-27-24(29)22-14-8-9-15-23(22)28-25(30)20-12-6-7-13-21(20)26(28)31/h6-9,12-15,19H,3-5,10-11,16-18H2,1-2H3,(H,27,29).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[3-(2-ethylhexoxy)propyl]benzamide?
2-(1,3-dioxoisoindol-2-yl)-N-[3-(2-ethylhexoxy)propyl]benzamide has a molecular weight of 436.55 g/mol, XLogP of 4.84, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[3-(2-ethylhexoxy)propyl]benzamide is sourced from PubChem (CID 3775546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).