2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-butoxyphenyl)acetamide

C19H28N2O2 — CID 119745749

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-butoxyphenyl)acetamide
SMILESCCCCOc1cccc(NC(=O)CC2CC3CCC(C2)N3)c1
InChIInChI=1S/C19H28N2O2/c1-2-3-9-23-18-6-4-5-15(13-18)21-19(22)12-14-10-16-7-8-17(11-14)20-16/h4-6,13-14,16-17,20H,2-3,7-12H2,1H3,(H,21,22)
InChIKeyYXJSWWMLEOOKCU-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.72
Rot. Bonds7

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-butoxyphenyl)acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-butoxyphenyl)acetamide (PubChem CID 119745749) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-butoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-butoxyphenyl)acetamide
PubChem CID119745749
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-butoxyphenyl)acetamide
SMILESCCCCOc1cccc(NC(=O)CC2CC3CCC(C2)N3)c1
InChIInChI=1S/C19H28N2O2/c1-2-3-9-23-18-6-4-5-15(13-18)21-19(22)12-14-10-16-7-8-17(11-14)20-16/h4-6,13-14,16-17,20H,2-3,7-12H2,1H3,(H,21,22)
InChIKeyYXJSWWMLEOOKCU-UHFFFAOYSA-N
XLogP3.72
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide;hydrochloride
CID 119723472
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-butoxy-2-methylphenyl)acetamide
CID 119739420
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide
CID 119713956
N-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 79610778
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(ethylaminomethyl)phenyl]acetamide
CID 122080255
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(methylcarbamoylamino)phenyl]acetamide
CID 119702054
N-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride
CID 119673318
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-[2-(diethylamino)ethoxy]phenyl]acetamide
CID 119841224
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(3-ethoxypropyl)benzamide
CID 119717801
N-(3-butoxyphenyl)-2-[cyclohexyl(methyl)amino]acetamide
CID 54818028
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(3-methoxyphenyl)benzamide
CID 119680059
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(1-methoxyethyl)phenyl]acetamide
CID 119768546

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-butoxyphenyl)acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-butoxyphenyl)acetamide (CID 119745749) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-butoxyphenyl)acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-butoxyphenyl)acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-butoxyphenyl)acetamide is CCCCOc1cccc(NC(=O)CC2CC3CCC(C2)N3)c1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-butoxyphenyl)acetamide?
The InChIKey is YXJSWWMLEOOKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-2-3-9-23-18-6-4-5-15(13-18)21-19(22)12-14-10-16-7-8-17(11-14)20-16/h4-6,13-14,16-17,20H,2-3,7-12H2,1H3,(H,21,22).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-butoxyphenyl)acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-butoxyphenyl)acetamide has a molecular weight of 316.45 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-butoxyphenyl)acetamide is sourced from PubChem (CID 119745749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).