[2-(cyclohexylamino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate

C18H20N2O5 — CID 1090073

IUPAC[2-(cyclohexylamino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
SMILESO=C(COC(=O)CN1C(=O)c2ccccc2C1=O)NC1CCCCC1
InChIInChI=1S/C18H20N2O5/c21-15(19-12-6-2-1-3-7-12)11-25-16(22)10-20-17(23)13-8-4-5-9-14(13)18(20)24/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,19,21)
InChIKeyXFOXWMKHSPUKIK-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.27
Rot. Bonds5

About [2-(cyclohexylamino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate

[2-(cyclohexylamino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate (PubChem CID 1090073) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
PubChem CID1090073
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name[2-(cyclohexylamino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
SMILESO=C(COC(=O)CN1C(=O)c2ccccc2C1=O)NC1CCCCC1
InChIInChI=1S/C18H20N2O5/c21-15(19-12-6-2-1-3-7-12)11-25-16(22)10-20-17(23)13-8-4-5-9-14(13)18(20)24/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,19,21)
InChIKeyXFOXWMKHSPUKIK-UHFFFAOYSA-N
XLogP1.27
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.27
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

2-Phthalimidobutyrolactone
CID 2783926
Phthalimide, N-((morpholinocarbonyl)methyl)-
CID 95006
1H-Isoindole-1,3(2H)-dione, 2-(2-(acetyloxy)ethyl)-
CID 79597
Diethyl phthalimidomalonate
CID 79760
N-Phthaloyl-DL-glutamic anhydride
CID 92193
2-(2-methoxyethyl)-3-oxo-N-(2-phenylethyl)isoindoline-4-carboxamide
CID 20855922
2,2'-(Oxybis(ethane-2,1-diyl))bis(isoindoline-1,3-dione)
CID 247817
Propyl 2-(1,3-dioxoisoindolin-2-yl)acetate
CID 648307
N-Phthaloylglycine tert.-butyl ester
CID 239996
Methyl 2-phthalimidoacetate
CID 277790
cyanomethyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 2397430
[2-Oxo-2-(3-phenylpropylamino)ethyl] 2-benzamidoacetate
CID 3448368

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
The IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate (CID 1090073) is [2-(cyclohexylamino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate is O=C(COC(=O)CN1C(=O)c2ccccc2C1=O)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylamino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
The InChIKey is XFOXWMKHSPUKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c21-15(19-12-6-2-1-3-7-12)11-25-16(22)10-20-17(23)13-8-4-5-9-14(13)18(20)24/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,19,21).
What are the key properties of [2-(cyclohexylamino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
[2-(cyclohexylamino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate has a molecular weight of 344.37 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate is sourced from PubChem (CID 1090073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).