[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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Related Compounds

CID 2783926
CID 2783926
CID 79597
CID 79597
CID 79760
CID 79760
CID 20855922
CID 20855922
CID 247817
CID 247817
CID 648307
CID 648307
CID 239996
CID 239996
CID 277790
CID 277790
CID 2083275
CID 2083275
CID 2397430
CID 2397430
CID 3448368
CID 3448368
CID 4306811
CID 4306811

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).