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

C19H24N2O3 — CID 4547476

IUPACN-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
SMILESCC(C)CC(C(=O)NC1CCCC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H24N2O3/c1-12(2)11-16(17(22)20-13-7-3-4-8-13)21-18(23)14-9-5-6-10-15(14)19(21)24/h5-6,9-10,12-13,16H,3-4,7-8,11H2,1-2H3,(H,20,22)
InChIKeyABXBILGMASZJJX-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.76
Rot. Bonds5

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

N-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide (PubChem CID 4547476) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
PubChem CID4547476
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
SMILESCC(C)CC(C(=O)NC1CCCC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H24N2O3/c1-12(2)11-16(17(22)20-13-7-3-4-8-13)21-18(23)14-9-5-6-10-15(14)19(21)24/h5-6,9-10,12-13,16H,3-4,7-8,11H2,1-2H3,(H,20,22)
InChIKeyABXBILGMASZJJX-UHFFFAOYSA-N
XLogP2.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.76
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-[2-(cyclohexylamino)-2-oxoethyl]-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 110285122
(2S)-N-(1-acetylpiperidin-4-yl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 39966068
(2R)-2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[(1S,2R)-2-methylcyclohexyl]pentanamide
CID 51405232
[2-(cyclohexylamino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
CID 4517473
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]-4-methylpentanamide
CID 7346494
[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
CID 42901838
N-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 5024298
(2S)-2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide
CID 2559883
N-cycloheptyl-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide
CID 84873355
(2R)-2-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-cyclopentyl-4-methylpentanamide
CID 51547706
cyclohexyl 4-[[2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoyl]amino]benzoate
CID 19165550
2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pentanamide
CID 110347576

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide?
The IUPAC name of N-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide (CID 4547476) is N-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide.
What is the SMILES notation for N-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide?
The canonical SMILES for N-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide is CC(C)CC(C(=O)NC1CCCC1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide?
The InChIKey is ABXBILGMASZJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-12(2)11-16(17(22)20-13-7-3-4-8-13)21-18(23)14-9-5-6-10-15(14)19(21)24/h5-6,9-10,12-13,16H,3-4,7-8,11H2,1-2H3,(H,20,22).
What are the key properties of N-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide?
N-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide has a molecular weight of 328.41 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide is sourced from PubChem (CID 4547476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).