cyclohexyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate

C23H23NO4 — CID 7610467

IUPACcyclohexyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
SMILESO=C(OC1CCCCC1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H23NO4/c25-21-18-13-7-8-14-19(18)22(26)24(21)20(15-16-9-3-1-4-10-16)23(27)28-17-11-5-2-6-12-17/h1,3-4,7-10,13-14,17,20H,2,5-6,11-12,15H2/t20-/m0/s1
InChIKeyLOBSHZGUNYMBJM-FQEVSTJZSA-N
MW377.44 g/mol
LogP3.77
Rot. Bonds5

About cyclohexyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate

cyclohexyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate (PubChem CID 7610467) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is cyclohexyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate.

Molecular Properties

Compound Namecyclohexyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
PubChem CID7610467
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Namecyclohexyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
SMILESO=C(OC1CCCCC1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H23NO4/c25-21-18-13-7-8-14-19(18)22(26)24(21)20(15-16-9-3-1-4-10-16)23(27)28-17-11-5-2-6-12-17/h1,3-4,7-10,13-14,17,20H,2,5-6,11-12,15H2/t20-/m0/s1
InChIKeyLOBSHZGUNYMBJM-FQEVSTJZSA-N
XLogP3.77
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze cyclohexyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(cycloheptylamino)-2-oxoethyl] (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 55925995
(2S)-N-(cyclohexylmethyl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 2666747
N-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 5024298
ethyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 830179
cyclodecyl (2S)-2-amino-3-phenylpropanoate
CID 166650895
cyclooctyl (2S)-2-amino-3-phenylpropanoate
CID 155077382
[(3S)-3-(1,3-dioxoisoindol-2-yl)-2-oxo-4-phenylbutyl] (2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 23314933
2-oxopropyl (2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 22110471
2-[(2S)-1-(azepan-1-yl)-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione
CID 1167505
2-[1-(azepan-1-yl)-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione
CID 2856106
2-[(2R)-1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione
CID 23376206
cyclohexyl (3S)-3-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 1330031

Frequently Asked Questions

What is the IUPAC name of cyclohexyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate?
The IUPAC name of cyclohexyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate (CID 7610467) is cyclohexyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate.
What is the SMILES notation for cyclohexyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate?
The canonical SMILES for cyclohexyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate is O=C(OC1CCCCC1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of cyclohexyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate?
The InChIKey is LOBSHZGUNYMBJM-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H23NO4/c25-21-18-13-7-8-14-19(18)22(26)24(21)20(15-16-9-3-1-4-10-16)23(27)28-17-11-5-2-6-12-17/h1,3-4,7-10,13-14,17,20H,2,5-6,11-12,15H2/t20-/m0/s1.
What are the key properties of cyclohexyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate?
cyclohexyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate has a molecular weight of 377.44 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate is sourced from PubChem (CID 7610467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).