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

C21H28N2O3 — CID 84873355

IUPACN-cycloheptyl-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide
SMILESCCC(C)C(C(=O)NC1CCCCCC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H28N2O3/c1-3-14(2)18(19(24)22-15-10-6-4-5-7-11-15)23-20(25)16-12-8-9-13-17(16)21(23)26/h8-9,12-15,18H,3-7,10-11H2,1-2H3,(H,22,24)
InChIKeyBQISDRNZNGNDSJ-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.54
Rot. Bonds5

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

N-cycloheptyl-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide (PubChem CID 84873355) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-cycloheptyl-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide
PubChem CID84873355
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC NameN-cycloheptyl-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide
SMILESCCC(C)C(C(=O)NC1CCCCCC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H28N2O3/c1-3-14(2)18(19(24)22-15-10-6-4-5-7-11-15)23-20(25)16-12-8-9-13-17(16)21(23)26/h8-9,12-15,18H,3-7,10-11H2,1-2H3,(H,22,24)
InChIKeyBQISDRNZNGNDSJ-UHFFFAOYSA-N
XLogP3.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.54
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-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 4547476
ethyl 4-[[2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]piperidine-1-carboxylate
CID 55349281
(2R,3S)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanoic acid
CID 774771
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] (2S,3S)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanoate
CID 8942495
2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-piperidin-3-ylbutanamide
CID 119427532
[2-(cyclopentylamino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 3434863
N-[2-(cyclohexylamino)-2-oxoethyl]-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 110285122
[1-(cyclopentylamino)-1-oxobutan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 6487553
[(2S)-1-(cyclopentylamino)-1-oxobutan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7435757
[2-(cyclohexylamino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
CID 4517473
N-cyclododecyl-2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-3-methylpentanamide
CID 4002697
N-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 5024298

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide?
The IUPAC name of N-cycloheptyl-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide (CID 84873355) is N-cycloheptyl-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide.
What is the SMILES notation for N-cycloheptyl-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide?
The canonical SMILES for N-cycloheptyl-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide is CCC(C)C(C(=O)NC1CCCCCC1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-cycloheptyl-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide?
The InChIKey is BQISDRNZNGNDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-3-14(2)18(19(24)22-15-10-6-4-5-7-11-15)23-20(25)16-12-8-9-13-17(16)21(23)26/h8-9,12-15,18H,3-7,10-11H2,1-2H3,(H,22,24).
What are the key properties of N-cycloheptyl-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide?
N-cycloheptyl-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide has a molecular weight of 356.47 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide is sourced from PubChem (CID 84873355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).