2-[(1R)-2-(cyclohexylmethoxy)-1-phenylethyl]-1,3-dioxoisoindole-5-carboxylic acid

C24H25NO5 — CID 139789667

IUPAC2-[(1R)-2-(cyclohexylmethoxy)-1-phenylethyl]-1,3-dioxoisoindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(=O)N([C@@H](COCC1CCCCC1)c1ccccc1)C2=O
InChIInChI=1S/C24H25NO5/c26-22-19-12-11-18(24(28)29)13-20(19)23(27)25(22)21(17-9-5-2-6-10-17)15-30-14-16-7-3-1-4-8-16/h2,5-6,9-13,16,21H,1,3-4,7-8,14-15H2,(H,28,29)/t21-/m0/s1
InChIKeyJFGIBGKOWSMWFH-NRFANRHFSA-N
MW407.47 g/mol
LogP4.32
Rot. Bonds7

About 2-[(1R)-2-(cyclohexylmethoxy)-1-phenylethyl]-1,3-dioxoisoindole-5-carboxylic acid

2-[(1R)-2-(cyclohexylmethoxy)-1-phenylethyl]-1,3-dioxoisoindole-5-carboxylic acid (PubChem CID 139789667) has the molecular formula C24H25NO5 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-[(1R)-2-(cyclohexylmethoxy)-1-phenylethyl]-1,3-dioxoisoindole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(1R)-2-(cyclohexylmethoxy)-1-phenylethyl]-1,3-dioxoisoindole-5-carboxylic acid
PubChem CID139789667
Molecular FormulaC24H25NO5
Molecular Weight407.47 g/mol
Exact Mass407.17
IUPAC Name2-[(1R)-2-(cyclohexylmethoxy)-1-phenylethyl]-1,3-dioxoisoindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(=O)N([C@@H](COCC1CCCCC1)c1ccccc1)C2=O
InChIInChI=1S/C24H25NO5/c26-22-19-12-11-18(24(28)29)13-20(19)23(27)25(22)21(17-9-5-2-6-10-17)15-30-14-16-7-3-1-4-8-16/h2,5-6,9-13,16,21H,1,3-4,7-8,14-15H2,(H,28,29)/t21-/m0/s1
InChIKeyJFGIBGKOWSMWFH-NRFANRHFSA-N
XLogP4.32
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(1R)-2-(cyclohexylmethoxy)-1-phenylethyl]-1,3-dioxoisoindole-5-carboxylic acid 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-ethoxyethyl 2-[(1S)-2-cyclohexyloxy-1-phenylethyl]-1,3-dioxoisoindole-5-carboxylate
CID 139789603
2-(2-cyclopentylethyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 60919511
1,3-dioxo-2-[(1R)-1-phenylethyl]isoindole-5-carboxylic acid
CID 887935
2-(2-hydroxycyclohexyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 62359996
cyclohexyl (3S)-3-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 1330031
1-phenylethyl 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate
CID 16510789
2-benzyl-1,3-dioxoisoindole-5-carboxylic acid
CID 748193
1,3-dioxo-2-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carboxylic acid
CID 789609
4-(cyclohexylmethoxymethyl)-3-fluorobenzoic acid
CID 63075026
[1-bromo-3-(cyclohexylmethoxy)propan-2-yl]benzene
CID 65016371
benzoic acid;methoxymethylcyclohexane
CID 175415905
3-(cyclooctylmethoxy)benzoic acid
CID 58347494

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2-(cyclohexylmethoxy)-1-phenylethyl]-1,3-dioxoisoindole-5-carboxylic acid?
The IUPAC name of 2-[(1R)-2-(cyclohexylmethoxy)-1-phenylethyl]-1,3-dioxoisoindole-5-carboxylic acid (CID 139789667) is 2-[(1R)-2-(cyclohexylmethoxy)-1-phenylethyl]-1,3-dioxoisoindole-5-carboxylic acid.
What is the SMILES notation for 2-[(1R)-2-(cyclohexylmethoxy)-1-phenylethyl]-1,3-dioxoisoindole-5-carboxylic acid?
The canonical SMILES for 2-[(1R)-2-(cyclohexylmethoxy)-1-phenylethyl]-1,3-dioxoisoindole-5-carboxylic acid is O=C(O)c1ccc2c(c1)C(=O)N([C@@H](COCC1CCCCC1)c1ccccc1)C2=O.
What is the InChIKey of 2-[(1R)-2-(cyclohexylmethoxy)-1-phenylethyl]-1,3-dioxoisoindole-5-carboxylic acid?
The InChIKey is JFGIBGKOWSMWFH-NRFANRHFSA-N. The full InChI is InChI=1S/C24H25NO5/c26-22-19-12-11-18(24(28)29)13-20(19)23(27)25(22)21(17-9-5-2-6-10-17)15-30-14-16-7-3-1-4-8-16/h2,5-6,9-13,16,21H,1,3-4,7-8,14-15H2,(H,28,29)/t21-/m0/s1.
What are the key properties of 2-[(1R)-2-(cyclohexylmethoxy)-1-phenylethyl]-1,3-dioxoisoindole-5-carboxylic acid?
2-[(1R)-2-(cyclohexylmethoxy)-1-phenylethyl]-1,3-dioxoisoindole-5-carboxylic acid has a molecular weight of 407.47 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2-(cyclohexylmethoxy)-1-phenylethyl]-1,3-dioxoisoindole-5-carboxylic acid is sourced from PubChem (CID 139789667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).