N-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide

C18H22N2O2 — CID 50949631

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
SMILESO=C(CC1NC(=O)c2ccccc21)NCCC1=CCCCC1
InChIInChI=1S/C18H22N2O2/c21-17(19-11-10-13-6-2-1-3-7-13)12-16-14-8-4-5-9-15(14)18(22)20-16/h4-6,8-9,16H,1-3,7,10-12H2,(H,19,21)(H,20,22)
InChIKeyLXLSPAOIPPMANC-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.87
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide (PubChem CID 50949631) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
PubChem CID50949631
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
SMILESO=C(CC1NC(=O)c2ccccc21)NCCC1=CCCCC1
InChIInChI=1S/C18H22N2O2/c21-17(19-11-10-13-6-2-1-3-7-13)12-16-14-8-4-5-9-15(14)18(22)20-16/h4-6,8-9,16H,1-3,7,10-12H2,(H,19,21)(H,20,22)
InChIKeyLXLSPAOIPPMANC-UHFFFAOYSA-N
XLogP2.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 110694584
N-[2-(cyclohexen-1-yl)ethyl]-3-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]propanamide
CID 51697239
N-[2-(cyclohexen-1-yl)ethyl]-2-cyclohexylacetamide
CID 848109
N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]acetamide
CID 136919096
N-benzyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
CID 7678919
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
CID 97496646
N-[3-(furan-2-yl)propyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
CID 74230715
N-[2-(cyclohexen-1-yl)ethyl]-2-piperidin-3-ylacetamide
CID 55105005
N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 3822912
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173
2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 29261700
N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]propanediamide
CID 108942883

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide (CID 50949631) is N-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide is O=C(CC1NC(=O)c2ccccc21)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide?
The InChIKey is LXLSPAOIPPMANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c21-17(19-11-10-13-6-2-1-3-7-13)12-16-14-8-4-5-9-15(14)18(22)20-16/h4-6,8-9,16H,1-3,7,10-12H2,(H,19,21)(H,20,22).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide has a molecular weight of 298.39 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide is sourced from PubChem (CID 50949631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).