2-[2-(cyclohexen-1-yl)ethyl]-N-cyclohexyl-N-methyl-1,3-dioxoisoindole-5-carboxamide

C24H30N2O3 — CID 3589268

IUPAC2-[2-(cyclohexen-1-yl)ethyl]-N-cyclohexyl-N-methyl-1,3-dioxoisoindole-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)C(=O)N(CCC1=CCCCC1)C2=O)C1CCCCC1
InChIInChI=1S/C24H30N2O3/c1-25(19-10-6-3-7-11-19)22(27)18-12-13-20-21(16-18)24(29)26(23(20)28)15-14-17-8-4-2-5-9-17/h8,12-13,16,19H,2-7,9-11,14-15H2,1H3
InChIKeyQAHPFZIGARZZIF-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.58
Rot. Bonds5

About 2-[2-(cyclohexen-1-yl)ethyl]-N-cyclohexyl-N-methyl-1,3-dioxoisoindole-5-carboxamide

2-[2-(cyclohexen-1-yl)ethyl]-N-cyclohexyl-N-methyl-1,3-dioxoisoindole-5-carboxamide (PubChem CID 3589268) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-[2-(cyclohexen-1-yl)ethyl]-N-cyclohexyl-N-methyl-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-[2-(cyclohexen-1-yl)ethyl]-N-cyclohexyl-N-methyl-1,3-dioxoisoindole-5-carboxamide
PubChem CID3589268
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name2-[2-(cyclohexen-1-yl)ethyl]-N-cyclohexyl-N-methyl-1,3-dioxoisoindole-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)C(=O)N(CCC1=CCCCC1)C2=O)C1CCCCC1
InChIInChI=1S/C24H30N2O3/c1-25(19-10-6-3-7-11-19)22(27)18-12-13-20-21(16-18)24(29)26(23(20)28)15-14-17-8-4-2-5-9-17/h8,12-13,16,19H,2-7,9-11,14-15H2,1H3
InChIKeyQAHPFZIGARZZIF-UHFFFAOYSA-N
XLogP4.58
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexen-1-yl)ethyl]-N-cyclohexyl-N-methyl-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-[2-(cyclohexen-1-yl)ethyl]-N-cyclohexyl-N-methyl-1,3-dioxoisoindole-5-carboxamide (CID 3589268) is 2-[2-(cyclohexen-1-yl)ethyl]-N-cyclohexyl-N-methyl-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-[2-(cyclohexen-1-yl)ethyl]-N-cyclohexyl-N-methyl-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-[2-(cyclohexen-1-yl)ethyl]-N-cyclohexyl-N-methyl-1,3-dioxoisoindole-5-carboxamide is CN(C(=O)c1ccc2c(c1)C(=O)N(CCC1=CCCCC1)C2=O)C1CCCCC1.
What is the InChIKey of 2-[2-(cyclohexen-1-yl)ethyl]-N-cyclohexyl-N-methyl-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is QAHPFZIGARZZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-25(19-10-6-3-7-11-19)22(27)18-12-13-20-21(16-18)24(29)26(23(20)28)15-14-17-8-4-2-5-9-17/h8,12-13,16,19H,2-7,9-11,14-15H2,1H3.
What are the key properties of 2-[2-(cyclohexen-1-yl)ethyl]-N-cyclohexyl-N-methyl-1,3-dioxoisoindole-5-carboxamide?
2-[2-(cyclohexen-1-yl)ethyl]-N-cyclohexyl-N-methyl-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexen-1-yl)ethyl]-N-cyclohexyl-N-methyl-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 3589268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).