[1-(cyclopentylamino)-1-oxobutan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate

C19H22N2O5 — CID 6487553

IUPAC[1-(cyclopentylamino)-1-oxobutan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
SMILESCCC(OC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)NC1CCCC1
InChIInChI=1S/C19H22N2O5/c1-2-15(17(23)20-12-7-3-4-8-12)26-16(22)11-21-18(24)13-9-5-6-10-14(13)19(21)25/h5-6,9-10,12,15H,2-4,7-8,11H2,1H3,(H,20,23)
InChIKeyLVCQHPQDQLLXNP-UHFFFAOYSA-N
MW358.39 g/mol
LogP1.66
Rot. Bonds6

About [1-(cyclopentylamino)-1-oxobutan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate

[1-(cyclopentylamino)-1-oxobutan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate (PubChem CID 6487553) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is [1-(cyclopentylamino)-1-oxobutan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate.

Molecular Properties

Compound Name[1-(cyclopentylamino)-1-oxobutan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
PubChem CID6487553
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name[1-(cyclopentylamino)-1-oxobutan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
SMILESCCC(OC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)NC1CCCC1
InChIInChI=1S/C19H22N2O5/c1-2-15(17(23)20-12-7-3-4-8-12)26-16(22)11-21-18(24)13-9-5-6-10-14(13)19(21)25/h5-6,9-10,12,15H,2-4,7-8,11H2,1H3,(H,20,23)
InChIKeyLVCQHPQDQLLXNP-UHFFFAOYSA-N
XLogP1.66
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-1-(cyclopentylamino)-1-oxobutan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7435757
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7242381
[(1R)-2-(cyclopentylamino)-2-oxo-1-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7435756
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7951287
[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 24979821
N-cycloheptyl-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide
CID 84873355
[(2R)-1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 1251934
(2R)-N-cyclohexyl-2-(2-methoxyphenoxy)butanamide
CID 9172985
N-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 4547476
(2S)-N-cyclooctyl-2-naphthalen-2-yloxybutanamide
CID 92673860
N-cyclooctyl-2-(3-methoxyphenoxy)butanamide
CID 46769347
[1-(cyclohexylamino)-1-oxopropan-2-yl] 4-[(1,3-dioxoisoindol-2-yl)methyl]benzoate
CID 55545613

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopentylamino)-1-oxobutan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate?
The IUPAC name of [1-(cyclopentylamino)-1-oxobutan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate (CID 6487553) is [1-(cyclopentylamino)-1-oxobutan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate.
What is the SMILES notation for [1-(cyclopentylamino)-1-oxobutan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate?
The canonical SMILES for [1-(cyclopentylamino)-1-oxobutan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate is CCC(OC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)NC1CCCC1.
What is the InChIKey of [1-(cyclopentylamino)-1-oxobutan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate?
The InChIKey is LVCQHPQDQLLXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-2-15(17(23)20-12-7-3-4-8-12)26-16(22)11-21-18(24)13-9-5-6-10-14(13)19(21)25/h5-6,9-10,12,15H,2-4,7-8,11H2,1H3,(H,20,23).
What are the key properties of [1-(cyclopentylamino)-1-oxobutan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate?
[1-(cyclopentylamino)-1-oxobutan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate has a molecular weight of 358.39 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopentylamino)-1-oxobutan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate is sourced from PubChem (CID 6487553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).