2-[(3R,9aS)-4-oxo-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-3-yl]-N-(4-ethoxyphenyl)acetamide

C18H24N2O4 — CID 750039

IUPAC2-[(3R,9aS)-4-oxo-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-3-yl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)C[C@H]2OC[C@@H]3CCCCN3C2=O)cc1
InChIInChI=1S/C18H24N2O4/c1-2-23-15-8-6-13(7-9-15)19-17(21)11-16-18(22)20-10-4-3-5-14(20)12-24-16/h6-9,14,16H,2-5,10-12H2,1H3,(H,19,21)/t14-,16+/m0/s1
InChIKeyXVIVVWPEWLTKLH-GOEBONIOSA-N
MW332.40 g/mol
LogP2.19
Rot. Bonds5

About 2-[(3R,9aS)-4-oxo-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-3-yl]-N-(4-ethoxyphenyl)acetamide

2-[(3R,9aS)-4-oxo-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-3-yl]-N-(4-ethoxyphenyl)acetamide (PubChem CID 750039) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[(3R,9aS)-4-oxo-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-3-yl]-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(3R,9aS)-4-oxo-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-3-yl]-N-(4-ethoxyphenyl)acetamide
PubChem CID750039
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name2-[(3R,9aS)-4-oxo-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-3-yl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)C[C@H]2OC[C@@H]3CCCCN3C2=O)cc1
InChIInChI=1S/C18H24N2O4/c1-2-23-15-8-6-13(7-9-15)19-17(21)11-16-18(22)20-10-4-3-5-14(20)12-24-16/h6-9,14,16H,2-5,10-12H2,1H3,(H,19,21)/t14-,16+/m0/s1
InChIKeyXVIVVWPEWLTKLH-GOEBONIOSA-N
XLogP2.19
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3R,9aS)-4-oxo-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-3-yl]-N-(4-ethoxyphenyl)acetamide with MolForge

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Related Compounds

2-[(3S,9aR)-4-oxo-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-3-yl]-N-(4-fluorophenyl)acetamide
CID 806184
N-(4-ethoxyphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583349
2-[(4S)-3-cyclopentyl-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 41284608
2-[(4R)-3-cyclopentyl-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 41284607
(3R)-1-cyclohexyl-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1084043
N-(4-ethoxyphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108942054
2-(cyclopentylamino)-N-(4-ethoxyphenyl)acetamide
CID 47107212
2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(4-ethoxyphenyl)acetamide
CID 71841294
2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(4-ethoxyphenoxy)phenyl]acetamide
CID 4880290
N-(4-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 8544001
2-[4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 20970562
2-[(6aS)-3-(dimethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(4-ethoxyphenyl)acetamide
CID 95074524

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,9aS)-4-oxo-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-3-yl]-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-[(3R,9aS)-4-oxo-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-3-yl]-N-(4-ethoxyphenyl)acetamide (CID 750039) is 2-[(3R,9aS)-4-oxo-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-3-yl]-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(3R,9aS)-4-oxo-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-3-yl]-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[(3R,9aS)-4-oxo-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-3-yl]-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)C[C@H]2OC[C@@H]3CCCCN3C2=O)cc1.
What is the InChIKey of 2-[(3R,9aS)-4-oxo-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-3-yl]-N-(4-ethoxyphenyl)acetamide?
The InChIKey is XVIVVWPEWLTKLH-GOEBONIOSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-2-23-15-8-6-13(7-9-15)19-17(21)11-16-18(22)20-10-4-3-5-14(20)12-24-16/h6-9,14,16H,2-5,10-12H2,1H3,(H,19,21)/t14-,16+/m0/s1.
What are the key properties of 2-[(3R,9aS)-4-oxo-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-3-yl]-N-(4-ethoxyphenyl)acetamide?
2-[(3R,9aS)-4-oxo-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-3-yl]-N-(4-ethoxyphenyl)acetamide has a molecular weight of 332.40 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,9aS)-4-oxo-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-3-yl]-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 750039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).