N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-(4-methoxyphenoxy)acetamide

C20H28N2O5 — CID 75280028

IUPACN-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-(4-methoxyphenoxy)acetamide
SMILESCOCC1CC(=O)NC2CC(NC(=O)COc3ccc(OC)cc3)CCC12
InChIInChI=1S/C20H28N2O5/c1-25-11-13-9-19(23)22-18-10-14(3-8-17(13)18)21-20(24)12-27-16-6-4-15(26-2)5-7-16/h4-7,13-14,17-18H,3,8-12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyIMJSJRXCAVGRDX-UHFFFAOYSA-N
MW376.45 g/mol
LogP1.51
Rot. Bonds7

About N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-(4-methoxyphenoxy)acetamide

N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-(4-methoxyphenoxy)acetamide (PubChem CID 75280028) has the molecular formula C20H28N2O5 and a molecular weight of 376.45 g/mol. Its IUPAC name is N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-(4-methoxyphenoxy)acetamide
PubChem CID75280028
Molecular FormulaC20H28N2O5
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC NameN-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-(4-methoxyphenoxy)acetamide
SMILESCOCC1CC(=O)NC2CC(NC(=O)COc3ccc(OC)cc3)CCC12
InChIInChI=1S/C20H28N2O5/c1-25-11-13-9-19(23)22-18-10-14(3-8-17(13)18)21-20(24)12-27-16-6-4-15(26-2)5-7-16/h4-7,13-14,17-18H,3,8-12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyIMJSJRXCAVGRDX-UHFFFAOYSA-N
XLogP1.51
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-(4-methoxyphenoxy)acetamide (CID 75280028) is N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-(4-methoxyphenoxy)acetamide is COCC1CC(=O)NC2CC(NC(=O)COc3ccc(OC)cc3)CCC12.
What is the InChIKey of N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-(4-methoxyphenoxy)acetamide?
The InChIKey is IMJSJRXCAVGRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O5/c1-25-11-13-9-19(23)22-18-10-14(3-8-17(13)18)21-20(24)12-27-16-6-4-15(26-2)5-7-16/h4-7,13-14,17-18H,3,8-12H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-(4-methoxyphenoxy)acetamide?
N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-(4-methoxyphenoxy)acetamide has a molecular weight of 376.45 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 75280028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).