N-(3-ethoxypropyl)-2-[3-hydroxy-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide

C21H32N2O4 — CID 654346

IUPACN-(3-ethoxypropyl)-2-[3-hydroxy-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide
SMILESCCOCCCNC(=O)CN1C2CCC1CC(O)(c1ccc(OC)cc1)C2
InChIInChI=1S/C21H32N2O4/c1-3-27-12-4-11-22-20(24)15-23-17-7-8-18(23)14-21(25,13-17)16-5-9-19(26-2)10-6-16/h5-6,9-10,17-18,25H,3-4,7-8,11-15H2,1-2H3,(H,22,24)
InChIKeyDIAVWUQFNLVZPY-UHFFFAOYSA-N
MW376.50 g/mol
LogP2.05
Rot. Bonds9

About N-(3-ethoxypropyl)-2-[3-hydroxy-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide

N-(3-ethoxypropyl)-2-[3-hydroxy-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide (PubChem CID 654346) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-[3-hydroxy-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-[3-hydroxy-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide
PubChem CID654346
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC NameN-(3-ethoxypropyl)-2-[3-hydroxy-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide
SMILESCCOCCCNC(=O)CN1C2CCC1CC(O)(c1ccc(OC)cc1)C2
InChIInChI=1S/C21H32N2O4/c1-3-27-12-4-11-22-20(24)15-23-17-7-8-18(23)14-21(25,13-17)16-5-9-19(26-2)10-6-16/h5-6,9-10,17-18,25H,3-4,7-8,11-15H2,1-2H3,(H,22,24)
InChIKeyDIAVWUQFNLVZPY-UHFFFAOYSA-N
XLogP2.05
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxypropyl)-2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-ium-1-yl]acetamide
CID 7436223
N-(3-ethoxypropyl)-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide
CID 20968523
N-(3-ethoxypropyl)-2-(4-methoxyphenyl)-2-oxoacetamide
CID 101014754
N-(3-ethoxypropyl)-N'-[2-(4-methoxyphenyl)ethyl]oxamide
CID 108505219
N-(3-ethoxypropyl)-N'-[(4-methoxyphenyl)methyl]oxamide
CID 21369943
2-cyclopentyl-N-[2-[[N-(3-ethoxypropyl)-N'-[(4-methoxyphenyl)methyl]carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 110927875
N-(3-ethoxypropyl)-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 17405897
2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-(3-methoxypropyl)acetamide
CID 55236053
(1R,5S)-3-(4-methoxyphenyl)-8-[(3-methoxy-2-propoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 51499488
ethyl (1S,5R)-3-hydroxy-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 25132527
2-(1,3-dioxoisoindol-2-yl)-N-(3-ethoxypropyl)acetamide
CID 26776141
(2S)-N-(3-ethoxypropyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 28632770

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-[3-hydroxy-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide?
The IUPAC name of N-(3-ethoxypropyl)-2-[3-hydroxy-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide (CID 654346) is N-(3-ethoxypropyl)-2-[3-hydroxy-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-[3-hydroxy-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-[3-hydroxy-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide is CCOCCCNC(=O)CN1C2CCC1CC(O)(c1ccc(OC)cc1)C2.
What is the InChIKey of N-(3-ethoxypropyl)-2-[3-hydroxy-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide?
The InChIKey is DIAVWUQFNLVZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-3-27-12-4-11-22-20(24)15-23-17-7-8-18(23)14-21(25,13-17)16-5-9-19(26-2)10-6-16/h5-6,9-10,17-18,25H,3-4,7-8,11-15H2,1-2H3,(H,22,24).
What are the key properties of N-(3-ethoxypropyl)-2-[3-hydroxy-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide?
N-(3-ethoxypropyl)-2-[3-hydroxy-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide has a molecular weight of 376.50 g/mol, XLogP of 2.05, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-[3-hydroxy-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide is sourced from PubChem (CID 654346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).