N-(2-ethoxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide

C16H20N2O2 — CID 90627324

IUPACN-(2-ethoxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide
SMILESCCOc1ccccc1NC(=O)N1C2C=CCC1CC2
InChIInChI=1S/C16H20N2O2/c1-2-20-15-9-4-3-8-14(15)17-16(19)18-12-6-5-7-13(18)11-10-12/h3-6,8-9,12-13H,2,7,10-11H2,1H3,(H,17,19)
InChIKeyTYSKLMKBDAWBSR-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.41
Rot. Bonds3

About N-(2-ethoxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide

N-(2-ethoxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide (PubChem CID 90627324) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide
PubChem CID90627324
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-(2-ethoxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide
SMILESCCOc1ccccc1NC(=O)N1C2C=CCC1CC2
InChIInChI=1S/C16H20N2O2/c1-2-20-15-9-4-3-8-14(15)17-16(19)18-12-6-5-7-13(18)11-10-12/h3-6,8-9,12-13H,2,7,10-11H2,1H3,(H,17,19)
InChIKeyTYSKLMKBDAWBSR-UHFFFAOYSA-N
XLogP3.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide (CID 90627324) is N-(2-ethoxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide is CCOc1ccccc1NC(=O)N1C2C=CCC1CC2.
What is the InChIKey of N-(2-ethoxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide?
The InChIKey is TYSKLMKBDAWBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-2-20-15-9-4-3-8-14(15)17-16(19)18-12-6-5-7-13(18)11-10-12/h3-6,8-9,12-13H,2,7,10-11H2,1H3,(H,17,19).
What are the key properties of N-(2-ethoxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide?
N-(2-ethoxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide is sourced from PubChem (CID 90627324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).