N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide

C19H24N2O3 — CID 3237540

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide
SMILESO=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)NCCC1=CCCCC1
InChIInChI=1S/C19H24N2O3/c22-15(20-9-8-12-4-2-1-3-5-12)11-21-18(23)16-13-6-7-14(10-13)17(16)19(21)24/h4,6-7,13-14,16-17H,1-3,5,8-11H2,(H,20,22)
InChIKeyGOAMFDINFKIMQQ-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.80
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide (PubChem CID 3237540) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide
PubChem CID3237540
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide
SMILESO=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)NCCC1=CCCCC1
InChIInChI=1S/C19H24N2O3/c22-15(20-9-8-12-4-2-1-3-5-12)11-21-18(23)16-13-6-7-14(10-13)17(16)19(21)24/h4,6-7,13-14,16-17H,1-3,5,8-11H2,(H,20,22)
InChIKeyGOAMFDINFKIMQQ-UHFFFAOYSA-N
XLogP1.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.80
H-Bond Donors ≤ 51
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 N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide (CID 3237540) is N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide is O=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide?
The InChIKey is GOAMFDINFKIMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c22-15(20-9-8-12-4-2-1-3-5-12)11-21-18(23)16-13-6-7-14(10-13)17(16)19(21)24/h4,6-7,13-14,16-17H,1-3,5,8-11H2,(H,20,22).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide has a molecular weight of 328.41 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide is sourced from PubChem (CID 3237540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).