6-(1,3-dioxoisoindol-2-yl)-N-phenylhexanamide

C20H20N2O3 — CID 3720542

IUPAC6-(1,3-dioxoisoindol-2-yl)-N-phenylhexanamide
SMILESO=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1ccccc1
InChIInChI=1S/C20H20N2O3/c23-18(21-15-9-3-1-4-10-15)13-5-2-8-14-22-19(24)16-11-6-7-12-17(16)20(22)25/h1,3-4,6-7,9-12H,2,5,8,13-14H2,(H,21,23)
InChIKeyILZJKWMZFHNCMI-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.48
Rot. Bonds7

About 6-(1,3-dioxoisoindol-2-yl)-N-phenylhexanamide

6-(1,3-dioxoisoindol-2-yl)-N-phenylhexanamide (PubChem CID 3720542) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 6-(1,3-dioxoisoindol-2-yl)-N-phenylhexanamide.

Molecular Properties

Compound Name6-(1,3-dioxoisoindol-2-yl)-N-phenylhexanamide
PubChem CID3720542
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name6-(1,3-dioxoisoindol-2-yl)-N-phenylhexanamide
SMILESO=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1ccccc1
InChIInChI=1S/C20H20N2O3/c23-18(21-15-9-3-1-4-10-15)13-5-2-8-14-22-19(24)16-11-6-7-12-17(16)20(22)25/h1,3-4,6-7,9-12H,2,5,8,13-14H2,(H,21,23)
InChIKeyILZJKWMZFHNCMI-UHFFFAOYSA-N
XLogP3.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(1,3-dioxoisoindol-2-yl)-N-phenylhexanamide?
The IUPAC name of 6-(1,3-dioxoisoindol-2-yl)-N-phenylhexanamide (CID 3720542) is 6-(1,3-dioxoisoindol-2-yl)-N-phenylhexanamide.
What is the SMILES notation for 6-(1,3-dioxoisoindol-2-yl)-N-phenylhexanamide?
The canonical SMILES for 6-(1,3-dioxoisoindol-2-yl)-N-phenylhexanamide is O=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1ccccc1.
What is the InChIKey of 6-(1,3-dioxoisoindol-2-yl)-N-phenylhexanamide?
The InChIKey is ILZJKWMZFHNCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c23-18(21-15-9-3-1-4-10-15)13-5-2-8-14-22-19(24)16-11-6-7-12-17(16)20(22)25/h1,3-4,6-7,9-12H,2,5,8,13-14H2,(H,21,23).
What are the key properties of 6-(1,3-dioxoisoindol-2-yl)-N-phenylhexanamide?
6-(1,3-dioxoisoindol-2-yl)-N-phenylhexanamide has a molecular weight of 336.39 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dioxoisoindol-2-yl)-N-phenylhexanamide is sourced from PubChem (CID 3720542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).