N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2-ethoxyphenoxy)butanamide

C19H28N2O3 — CID 119459385

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2-ethoxyphenoxy)butanamide
SMILESCCOc1ccccc1OCCCC(=O)NC1CC2CCC(C1)N2
InChIInChI=1S/C19H28N2O3/c1-2-23-17-6-3-4-7-18(17)24-11-5-8-19(22)21-16-12-14-9-10-15(13-16)20-14/h3-4,6-7,14-16,20H,2,5,8-13H2,1H3,(H,21,22)
InChIKeyOMWHARQOTMJMBT-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.64
Rot. Bonds8

About N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2-ethoxyphenoxy)butanamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2-ethoxyphenoxy)butanamide (PubChem CID 119459385) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2-ethoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2-ethoxyphenoxy)butanamide
PubChem CID119459385
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2-ethoxyphenoxy)butanamide
SMILESCCOc1ccccc1OCCCC(=O)NC1CC2CCC(C1)N2
InChIInChI=1S/C19H28N2O3/c1-2-23-17-6-3-4-7-18(17)24-11-5-8-19(22)21-16-12-14-9-10-15(13-16)20-14/h3-4,6-7,14-16,20H,2,5,8-13H2,1H3,(H,21,22)
InChIKeyOMWHARQOTMJMBT-UHFFFAOYSA-N
XLogP2.64
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2-ethoxyphenoxy)butanamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2-ethoxyphenoxy)butanamide (CID 119459385) is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2-ethoxyphenoxy)butanamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2-ethoxyphenoxy)butanamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2-ethoxyphenoxy)butanamide is CCOc1ccccc1OCCCC(=O)NC1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2-ethoxyphenoxy)butanamide?
The InChIKey is OMWHARQOTMJMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-2-23-17-6-3-4-7-18(17)24-11-5-8-19(22)21-16-12-14-9-10-15(13-16)20-14/h3-4,6-7,14-16,20H,2,5,8-13H2,1H3,(H,21,22).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2-ethoxyphenoxy)butanamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2-ethoxyphenoxy)butanamide has a molecular weight of 332.44 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2-ethoxyphenoxy)butanamide is sourced from PubChem (CID 119459385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).