4-(1,3-dioxoisoindol-2-yl)-N-phenylbutanamide

C18H16N2O3 — CID 744549

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-phenylbutanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccccc1
InChIInChI=1S/C18H16N2O3/c21-16(19-13-7-2-1-3-8-13)11-6-12-20-17(22)14-9-4-5-10-15(14)18(20)23/h1-5,7-10H,6,11-12H2,(H,19,21)
InChIKeyJOBMXNSRPOTXGB-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.70
Rot. Bonds5

About 4-(1,3-dioxoisoindol-2-yl)-N-phenylbutanamide

4-(1,3-dioxoisoindol-2-yl)-N-phenylbutanamide (PubChem CID 744549) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-phenylbutanamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-phenylbutanamide
PubChem CID744549
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-phenylbutanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccccc1
InChIInChI=1S/C18H16N2O3/c21-16(19-13-7-2-1-3-8-13)11-6-12-20-17(22)14-9-4-5-10-15(14)18(20)23/h1-5,7-10H,6,11-12H2,(H,19,21)
InChIKeyJOBMXNSRPOTXGB-UHFFFAOYSA-N
XLogP2.70
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-phenylbutanamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-phenylbutanamide (CID 744549) is 4-(1,3-dioxoisoindol-2-yl)-N-phenylbutanamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-phenylbutanamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-phenylbutanamide is O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccccc1.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-phenylbutanamide?
The InChIKey is JOBMXNSRPOTXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c21-16(19-13-7-2-1-3-8-13)11-6-12-20-17(22)14-9-4-5-10-15(14)18(20)23/h1-5,7-10H,6,11-12H2,(H,19,21).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-phenylbutanamide?
4-(1,3-dioxoisoindol-2-yl)-N-phenylbutanamide has a molecular weight of 308.34 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-phenylbutanamide is sourced from PubChem (CID 744549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).