N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(4-ethoxyphenyl)acetamide

C20H30N2O2 — CID 100819568

IUPACN-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(CC(=O)NC[C@@H]2CCCN3CCCC[C@@H]23)cc1
InChIInChI=1S/C20H30N2O2/c1-2-24-18-10-8-16(9-11-18)14-20(23)21-15-17-6-5-13-22-12-4-3-7-19(17)22/h8-11,17,19H,2-7,12-15H2,1H3,(H,21,23)/t17-,19-/m0/s1
InChIKeyYVKNZDBOSHHBDD-HKUYNNGSSA-N
MW330.47 g/mol
LogP3.01
Rot. Bonds6

About N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(4-ethoxyphenyl)acetamide

N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(4-ethoxyphenyl)acetamide (PubChem CID 100819568) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(4-ethoxyphenyl)acetamide
PubChem CID100819568
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC NameN-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(CC(=O)NC[C@@H]2CCCN3CCCC[C@@H]23)cc1
InChIInChI=1S/C20H30N2O2/c1-2-24-18-10-8-16(9-11-18)14-20(23)21-15-17-6-5-13-22-12-4-3-7-19(17)22/h8-11,17,19H,2-7,12-15H2,1H3,(H,21,23)/t17-,19-/m0/s1
InChIKeyYVKNZDBOSHHBDD-HKUYNNGSSA-N
XLogP3.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(4-ethoxyphenyl)acetamide with MolForge

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Related Compounds

N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(4-ethoxyphenyl)acetamide
CID 16895629
2-(4-ethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119509770
N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 124652638
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 163088959
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 123132618
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(5-methoxyindol-1-yl)acetamide
CID 71753916
1-[2-(4-ethoxyphenyl)acetyl]piperidine-4-carboxylic acid
CID 43238969
N-[(2-hydroxycyclopentyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide
CID 111471301
2-(4-ethoxyphenyl)-N-(2-piperidin-1-ylpropyl)acetamide
CID 112502322
N-[(2,5-dioxoimidazolidin-4-yl)methyl]-2-(4-ethoxyphenyl)acetamide
CID 110743578
N-[[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 75366457
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 114317378

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(4-ethoxyphenyl)acetamide?
The IUPAC name of N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(4-ethoxyphenyl)acetamide (CID 100819568) is N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(4-ethoxyphenyl)acetamide?
The canonical SMILES for N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(4-ethoxyphenyl)acetamide is CCOc1ccc(CC(=O)NC[C@@H]2CCCN3CCCC[C@@H]23)cc1.
What is the InChIKey of N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(4-ethoxyphenyl)acetamide?
The InChIKey is YVKNZDBOSHHBDD-HKUYNNGSSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-2-24-18-10-8-16(9-11-18)14-20(23)21-15-17-6-5-13-22-12-4-3-7-19(17)22/h8-11,17,19H,2-7,12-15H2,1H3,(H,21,23)/t17-,19-/m0/s1.
What are the key properties of N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(4-ethoxyphenyl)acetamide?
N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(4-ethoxyphenyl)acetamide has a molecular weight of 330.47 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 100819568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).