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

C18H16N2O3 — CID 2977645

IUPACN-(1,3-dioxoisoindol-2-yl)-2-phenylbutanamide
SMILESCCC(C(=O)NN1C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C18H16N2O3/c1-2-13(12-8-4-3-5-9-12)16(21)19-20-17(22)14-10-6-7-11-15(14)18(20)23/h3-11,13H,2H2,1H3,(H,19,21)
InChIKeyHZQUTCJOCPXCOX-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.51
Rot. Bonds4

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

N-(1,3-dioxoisoindol-2-yl)-2-phenylbutanamide (PubChem CID 2977645) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-2-yl)-2-phenylbutanamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-2-yl)-2-phenylbutanamide
PubChem CID2977645
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC NameN-(1,3-dioxoisoindol-2-yl)-2-phenylbutanamide
SMILESCCC(C(=O)NN1C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C18H16N2O3/c1-2-13(12-8-4-3-5-9-12)16(21)19-20-17(22)14-10-6-7-11-15(14)18(20)23/h3-11,13H,2H2,1H3,(H,19,21)
InChIKeyHZQUTCJOCPXCOX-UHFFFAOYSA-N
XLogP2.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.51
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 N-(1,3-dioxoisoindol-2-yl)-2-phenylbutanamide?
The IUPAC name of N-(1,3-dioxoisoindol-2-yl)-2-phenylbutanamide (CID 2977645) is N-(1,3-dioxoisoindol-2-yl)-2-phenylbutanamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-2-yl)-2-phenylbutanamide?
The canonical SMILES for N-(1,3-dioxoisoindol-2-yl)-2-phenylbutanamide is CCC(C(=O)NN1C(=O)c2ccccc2C1=O)c1ccccc1.
What is the InChIKey of N-(1,3-dioxoisoindol-2-yl)-2-phenylbutanamide?
The InChIKey is HZQUTCJOCPXCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-2-13(12-8-4-3-5-9-12)16(21)19-20-17(22)14-10-6-7-11-15(14)18(20)23/h3-11,13H,2H2,1H3,(H,19,21).
What are the key properties of N-(1,3-dioxoisoindol-2-yl)-2-phenylbutanamide?
N-(1,3-dioxoisoindol-2-yl)-2-phenylbutanamide has a molecular weight of 308.34 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-2-yl)-2-phenylbutanamide is sourced from PubChem (CID 2977645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).