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

C15H18N2O3 — CID 75526472

IUPACN-(1,3-dioxoisoindol-2-yl)-3-methylhexanamide
SMILESCCCC(C)CC(=O)NN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H18N2O3/c1-3-6-10(2)9-13(18)16-17-14(19)11-7-4-5-8-12(11)15(17)20/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,16,18)
InChIKeyVSDAHJHCZDTTKP-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.14
Rot. Bonds5

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

N-(1,3-dioxoisoindol-2-yl)-3-methylhexanamide (PubChem CID 75526472) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-2-yl)-3-methylhexanamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-2-yl)-3-methylhexanamide
PubChem CID75526472
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-(1,3-dioxoisoindol-2-yl)-3-methylhexanamide
SMILESCCCC(C)CC(=O)NN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H18N2O3/c1-3-6-10(2)9-13(18)16-17-14(19)11-7-4-5-8-12(11)15(17)20/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,16,18)
InChIKeyVSDAHJHCZDTTKP-UHFFFAOYSA-N
XLogP2.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 142645113
N-(1,3-dioxoisoindol-2-yl)octanamide
CID 11173742
N-(1,3-dioxoisoindol-2-yl)-3,3,3-trifluoropropanamide
CID 53484393
N-(1,3-dioxoisoindol-2-yl)-3-(4-methylphenyl)propanamide
CID 11066794
N-(1,3-dioxoisoindol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide
CID 965730
2-[(2R)-pentan-2-yl]isoindole-1,3-dione
CID 10512957
2-(2-oxoheptan-4-yl)isoindole-1,3-dione
CID 11196218
N-[1-(1,3-dioxoisoindol-2-yl)ethyl]propanamide
CID 70491073
3-(4-chlorophenyl)-N-(1,3-dioxoisoindol-2-yl)propanamide
CID 10925510
ethane;2-(2-oxohexan-3-yl)isoindole-1,3-dione
CID 143996703
[(2R)-1-(1,3-dioxoisoindol-2-yl)pentan-2-yl]carbamic acid
CID 150921209
N-(1,3-dioxoisoindol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 3776014

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxoisoindol-2-yl)-3-methylhexanamide?
The IUPAC name of N-(1,3-dioxoisoindol-2-yl)-3-methylhexanamide (CID 75526472) is N-(1,3-dioxoisoindol-2-yl)-3-methylhexanamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-2-yl)-3-methylhexanamide?
The canonical SMILES for N-(1,3-dioxoisoindol-2-yl)-3-methylhexanamide is CCCC(C)CC(=O)NN1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-(1,3-dioxoisoindol-2-yl)-3-methylhexanamide?
The InChIKey is VSDAHJHCZDTTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-6-10(2)9-13(18)16-17-14(19)11-7-4-5-8-12(11)15(17)20/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,16,18).
What are the key properties of N-(1,3-dioxoisoindol-2-yl)-3-methylhexanamide?
N-(1,3-dioxoisoindol-2-yl)-3-methylhexanamide has a molecular weight of 274.32 g/mol, XLogP of 2.14, 5 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)-3-methylhexanamide is sourced from PubChem (CID 75526472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).