N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-2-(4-methoxyphenyl)-N-propan-2-ylacetamide

C22H34N2O2 — CID 122169746

IUPACN-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-2-(4-methoxyphenyl)-N-propan-2-ylacetamide
SMILESCOc1ccc(CC(=O)N(CC2CCCN3CCCCC23)C(C)C)cc1
InChIInChI=1S/C22H34N2O2/c1-17(2)24(22(25)15-18-9-11-20(26-3)12-10-18)16-19-7-6-14-23-13-5-4-8-21(19)23/h9-12,17,19,21H,4-8,13-16H2,1-3H3
InChIKeyGGRXMHLVJVQUJE-UHFFFAOYSA-N
MW358.53 g/mol
LogP3.74
Rot. Bonds6

About N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-2-(4-methoxyphenyl)-N-propan-2-ylacetamide

N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-2-(4-methoxyphenyl)-N-propan-2-ylacetamide (PubChem CID 122169746) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-2-(4-methoxyphenyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-2-(4-methoxyphenyl)-N-propan-2-ylacetamide
PubChem CID122169746
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC NameN-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-2-(4-methoxyphenyl)-N-propan-2-ylacetamide
SMILESCOc1ccc(CC(=O)N(CC2CCCN3CCCCC23)C(C)C)cc1
InChIInChI=1S/C22H34N2O2/c1-17(2)24(22(25)15-18-9-11-20(26-3)12-10-18)16-19-7-6-14-23-13-5-4-8-21(19)23/h9-12,17,19,21H,4-8,13-16H2,1-3H3
InChIKeyGGRXMHLVJVQUJE-UHFFFAOYSA-N
XLogP3.74
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-propan-2-yl-3-(4-propan-2-yloxyphenyl)propanamide
CID 163065529
2-(4-methoxyphenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride
CID 54611509
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-methylpropanamide
CID 122169799
N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(4-ethoxyphenyl)acetamide
CID 100819568
(2S,3R)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(4-methoxyphenyl)-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide
CID 124874295
(2R)-N-cyclohexyl-2-[[2-(4-methoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 100515547
N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)-N-(1-propan-2-ylpiperidin-2-yl)acetamide
CID 91198671
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 45371494
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-5-methoxy-N,3-dimethyl-1H-indole-2-carboxamide
CID 135637975
2-(4-methoxyphenyl)-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 176781017
N-[1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethoxy)-2,2,2-trichloroethyl]-4-methoxybenzamide
CID 3375216
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

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-2-(4-methoxyphenyl)-N-propan-2-ylacetamide?
The IUPAC name of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-2-(4-methoxyphenyl)-N-propan-2-ylacetamide (CID 122169746) is N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-2-(4-methoxyphenyl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-2-(4-methoxyphenyl)-N-propan-2-ylacetamide?
The canonical SMILES for N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-2-(4-methoxyphenyl)-N-propan-2-ylacetamide is COc1ccc(CC(=O)N(CC2CCCN3CCCCC23)C(C)C)cc1.
What is the InChIKey of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-2-(4-methoxyphenyl)-N-propan-2-ylacetamide?
The InChIKey is GGRXMHLVJVQUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-17(2)24(22(25)15-18-9-11-20(26-3)12-10-18)16-19-7-6-14-23-13-5-4-8-21(19)23/h9-12,17,19,21H,4-8,13-16H2,1-3H3.
What are the key properties of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-2-(4-methoxyphenyl)-N-propan-2-ylacetamide?
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-2-(4-methoxyphenyl)-N-propan-2-ylacetamide has a molecular weight of 358.53 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-2-(4-methoxyphenyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 122169746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).