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

C14H16N2O3 — CID 25250136

IUPACN-(1,3-dioxoisoindol-4-yl)-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1cccc2c1C(=O)NC2=O
InChIInChI=1S/C14H16N2O3/c1-3-5-8(2)12(17)15-10-7-4-6-9-11(10)14(19)16-13(9)18/h4,6-8H,3,5H2,1-2H3,(H,15,17)(H,16,18,19)
InChIKeyYFCXOYDWZCUHLP-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.94
Rot. Bonds4

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

N-(1,3-dioxoisoindol-4-yl)-2-methylpentanamide (PubChem CID 25250136) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-4-yl)-2-methylpentanamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-4-yl)-2-methylpentanamide
PubChem CID25250136
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN-(1,3-dioxoisoindol-4-yl)-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1cccc2c1C(=O)NC2=O
InChIInChI=1S/C14H16N2O3/c1-3-5-8(2)12(17)15-10-7-4-6-9-11(10)14(19)16-13(9)18/h4,6-8H,3,5H2,1-2H3,(H,15,17)(H,16,18,19)
InChIKeyYFCXOYDWZCUHLP-UHFFFAOYSA-N
XLogP1.94
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1,3-dioxoisoindol-4-yl)carbamic acid
CID 69050787
2-methyl-N-naphthalen-1-ylpentanamide
CID 112762783
N-[3-(chloromethyl)-2-propan-2-ylphenyl]-2-methylpentanamide
CID 166682257
N-[2-(bromomethyl)phenyl]-2-methylpentanamide
CID 114309617
2-methyl-N-[5-(methylcarbamoylamino)naphthalen-1-yl]pentanamide
CID 145301139
N-(1,3,4-trioxoisoquinolin-5-yl)acetamide
CID 11572178
N-(2-acetylphenyl)-2-methylpentanamide
CID 43183491
N-(1,3-dioxoisoindol-4-yl)-2-naphthalen-1-ylacetamide
CID 727482
N-(1,3-dioxoisoindol-4-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 16838342
N-(2,6-diethylphenyl)-2-methylpentanamide
CID 2952555
trans-(1R,5R)-N-(1,3-dioxoisoindol-4-yl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 67477201
methyl 2-(2-methylpentanoylamino)benzoate
CID 2904418

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxoisoindol-4-yl)-2-methylpentanamide?
The IUPAC name of N-(1,3-dioxoisoindol-4-yl)-2-methylpentanamide (CID 25250136) is N-(1,3-dioxoisoindol-4-yl)-2-methylpentanamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-4-yl)-2-methylpentanamide?
The canonical SMILES for N-(1,3-dioxoisoindol-4-yl)-2-methylpentanamide is CCCC(C)C(=O)Nc1cccc2c1C(=O)NC2=O.
What is the InChIKey of N-(1,3-dioxoisoindol-4-yl)-2-methylpentanamide?
The InChIKey is YFCXOYDWZCUHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-3-5-8(2)12(17)15-10-7-4-6-9-11(10)14(19)16-13(9)18/h4,6-8H,3,5H2,1-2H3,(H,15,17)(H,16,18,19).
What are the key properties of N-(1,3-dioxoisoindol-4-yl)-2-methylpentanamide?
N-(1,3-dioxoisoindol-4-yl)-2-methylpentanamide has a molecular weight of 260.29 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-4-yl)-2-methylpentanamide is sourced from PubChem (CID 25250136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).