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

C19H22N2O5 — CID 3471881

IUPAC[2-(cyclohexylamino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate
SMILESCC(C(=O)OCC(=O)NC1CCCCC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H22N2O5/c1-12(21-17(23)14-9-5-6-10-15(14)18(21)24)19(25)26-11-16(22)20-13-7-3-2-4-8-13/h5-6,9-10,12-13H,2-4,7-8,11H2,1H3,(H,20,22)
InChIKeyCCYFBGZWKLMSIT-UHFFFAOYSA-N
MW358.39 g/mol
LogP1.66
Rot. Bonds5

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

[2-(cyclohexylamino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate (PubChem CID 3471881) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate
PubChem CID3471881
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name[2-(cyclohexylamino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate
SMILESCC(C(=O)OCC(=O)NC1CCCCC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H22N2O5/c1-12(21-17(23)14-9-5-6-10-15(14)18(21)24)19(25)26-11-16(22)20-13-7-3-2-4-8-13/h5-6,9-10,12-13H,2-4,7-8,11H2,1H3,(H,20,22)
InChIKeyCCYFBGZWKLMSIT-UHFFFAOYSA-N
XLogP1.66
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate?
The IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate (CID 3471881) is [2-(cyclohexylamino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate is CC(C(=O)OCC(=O)NC1CCCCC1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of [2-(cyclohexylamino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate?
The InChIKey is CCYFBGZWKLMSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-12(21-17(23)14-9-5-6-10-15(14)18(21)24)19(25)26-11-16(22)20-13-7-3-2-4-8-13/h5-6,9-10,12-13H,2-4,7-8,11H2,1H3,(H,20,22).
What are the key properties of [2-(cyclohexylamino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate?
[2-(cyclohexylamino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate has a molecular weight of 358.39 g/mol, XLogP of 1.66, 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)propanoate is sourced from PubChem (CID 3471881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).