2-cyclohexyl-1,3-dioxo-N-[(1R)-1-phenylethyl]isoindole-5-carboxamide

C23H24N2O3 — CID 26911738

IUPAC2-cyclohexyl-1,3-dioxo-N-[(1R)-1-phenylethyl]isoindole-5-carboxamide
SMILESC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1ccccc1
InChIInChI=1S/C23H24N2O3/c1-15(16-8-4-2-5-9-16)24-21(26)17-12-13-19-20(14-17)23(28)25(22(19)27)18-10-6-3-7-11-18/h2,4-5,8-9,12-15,18H,3,6-7,10-11H2,1H3,(H,24,26)/t15-/m1/s1
InChIKeyBZUCRAMEQNPLAL-OAHLLOKOSA-N
MW376.46 g/mol
LogP4.11
Rot. Bonds4

About 2-cyclohexyl-1,3-dioxo-N-[(1R)-1-phenylethyl]isoindole-5-carboxamide

2-cyclohexyl-1,3-dioxo-N-[(1R)-1-phenylethyl]isoindole-5-carboxamide (PubChem CID 26911738) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-cyclohexyl-1,3-dioxo-N-[(1R)-1-phenylethyl]isoindole-5-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-1,3-dioxo-N-[(1R)-1-phenylethyl]isoindole-5-carboxamide
PubChem CID26911738
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name2-cyclohexyl-1,3-dioxo-N-[(1R)-1-phenylethyl]isoindole-5-carboxamide
SMILESC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1ccccc1
InChIInChI=1S/C23H24N2O3/c1-15(16-8-4-2-5-9-16)24-21(26)17-12-13-19-20(14-17)23(28)25(22(19)27)18-10-6-3-7-11-18/h2,4-5,8-9,12-15,18H,3,6-7,10-11H2,1H3,(H,24,26)/t15-/m1/s1
InChIKeyBZUCRAMEQNPLAL-OAHLLOKOSA-N
XLogP4.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-cyclohexyl-1,3-dioxo-N-[(1R)-1-phenylethyl]isoindole-5-carboxamide with MolForge

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Related Compounds

1-phenylethyl 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate
CID 16510789
methyl (2S)-2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]-3-phenylpropanoate
CID 38032325
4-[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]-N-(1-phenylethyl)benzamide
CID 4110970
2-cyclohexyl-N-(2-hydroxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 78855304
2-cyclohexyl-1,3-dioxo-N-[3-oxo-3-(propan-2-ylamino)propyl]isoindole-5-carboxamide
CID 55599710
N-(3-amino-2-methylpropyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide
CID 119997286
[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate
CID 40834208
[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate
CID 40834207
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate
CID 55392006
2-cyclohexyl-1,3-dioxo-N-(2-phenoxyethyl)isoindole-5-carboxamide
CID 27758114
2-cyclohexyl-1,3-dioxo-N-(3-propan-2-yloxypropyl)isoindole-5-carboxamide
CID 34375747
2-cyclohexyl-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 108540023

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1,3-dioxo-N-[(1R)-1-phenylethyl]isoindole-5-carboxamide?
The IUPAC name of 2-cyclohexyl-1,3-dioxo-N-[(1R)-1-phenylethyl]isoindole-5-carboxamide (CID 26911738) is 2-cyclohexyl-1,3-dioxo-N-[(1R)-1-phenylethyl]isoindole-5-carboxamide.
What is the SMILES notation for 2-cyclohexyl-1,3-dioxo-N-[(1R)-1-phenylethyl]isoindole-5-carboxamide?
The canonical SMILES for 2-cyclohexyl-1,3-dioxo-N-[(1R)-1-phenylethyl]isoindole-5-carboxamide is C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1ccccc1.
What is the InChIKey of 2-cyclohexyl-1,3-dioxo-N-[(1R)-1-phenylethyl]isoindole-5-carboxamide?
The InChIKey is BZUCRAMEQNPLAL-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-15(16-8-4-2-5-9-16)24-21(26)17-12-13-19-20(14-17)23(28)25(22(19)27)18-10-6-3-7-11-18/h2,4-5,8-9,12-15,18H,3,6-7,10-11H2,1H3,(H,24,26)/t15-/m1/s1.
What are the key properties of 2-cyclohexyl-1,3-dioxo-N-[(1R)-1-phenylethyl]isoindole-5-carboxamide?
2-cyclohexyl-1,3-dioxo-N-[(1R)-1-phenylethyl]isoindole-5-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1,3-dioxo-N-[(1R)-1-phenylethyl]isoindole-5-carboxamide is sourced from PubChem (CID 26911738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).