5-(1,3-dioxoisoindol-2-yl)pentanamide

C13H14N2O3 — CID 86775352

IUPAC5-(1,3-dioxoisoindol-2-yl)pentanamide
SMILESNC(=O)CCCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C13H14N2O3/c14-11(16)7-3-4-8-15-12(17)9-5-1-2-6-10(9)13(15)18/h1-2,5-6H,3-4,7-8H2,(H2,14,16)
InChIKeyUEGXDWPVTYVNGJ-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.94
Rot. Bonds5

About 5-(1,3-dioxoisoindol-2-yl)pentanamide

5-(1,3-dioxoisoindol-2-yl)pentanamide (PubChem CID 86775352) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-(1,3-dioxoisoindol-2-yl)pentanamide.

Molecular Properties

Compound Name5-(1,3-dioxoisoindol-2-yl)pentanamide
PubChem CID86775352
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name5-(1,3-dioxoisoindol-2-yl)pentanamide
SMILESNC(=O)CCCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C13H14N2O3/c14-11(16)7-3-4-8-15-12(17)9-5-1-2-6-10(9)13(15)18/h1-2,5-6H,3-4,7-8H2,(H2,14,16)
InChIKeyUEGXDWPVTYVNGJ-UHFFFAOYSA-N
XLogP0.94
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.94
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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Related Compounds

2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
5-(1,3-dioxoisoindol-2-yl)pentanehydrazide
CID 63572994
5-(1,3-dioxoisoindol-2-yl)pentanimidamide;hydrochloride
CID 21298870
6-(1,3-dioxoisoindol-2-yl)hexanoic acid;manganese
CID 174657326
2-(4-hydroxybutyl)isoindole-1,3-dione;2-(3-hydroxypropyl)isoindole-1,3-dione
CID 21468228
ethyl 18-(1,3-dioxoisoindol-2-yl)octadecanoate
CID 70138302
8-(1,3-dioxoisoindol-2-yl)-3-oxooctanoic acid
CID 19828637
N'-[(Z)-[1-amino-3-(1,3-dioxoisoindol-2-yl)propylidene]amino]pentanediamide
CID 130439754
2-(6,6-dimethyl-5,7-dioxononyl)isoindole-1,3-dione
CID 167549198
methyl 2-[6-(1,3-dioxoisoindol-2-yl)hexanoylamino]propanoate
CID 19166825
methylsulfanylmethyl 6-(1,3-dioxoisoindol-2-yl)hexanoate
CID 10829605
N-(2-aminophenyl)-5-(1,3-dioxoisoindol-2-yl)pentanamide
CID 58982081

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dioxoisoindol-2-yl)pentanamide?
The IUPAC name of 5-(1,3-dioxoisoindol-2-yl)pentanamide (CID 86775352) is 5-(1,3-dioxoisoindol-2-yl)pentanamide.
What is the SMILES notation for 5-(1,3-dioxoisoindol-2-yl)pentanamide?
The canonical SMILES for 5-(1,3-dioxoisoindol-2-yl)pentanamide is NC(=O)CCCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 5-(1,3-dioxoisoindol-2-yl)pentanamide?
The InChIKey is UEGXDWPVTYVNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c14-11(16)7-3-4-8-15-12(17)9-5-1-2-6-10(9)13(15)18/h1-2,5-6H,3-4,7-8H2,(H2,14,16).
What are the key properties of 5-(1,3-dioxoisoindol-2-yl)pentanamide?
5-(1,3-dioxoisoindol-2-yl)pentanamide has a molecular weight of 246.27 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dioxoisoindol-2-yl)pentanamide is sourced from PubChem (CID 86775352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).