N-(3,4-dimethoxyphenyl)-2-(3-oxo-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-4-yl)acetamide

C18H24N2O5 — CID 4234432

IUPACN-(3,4-dimethoxyphenyl)-2-(3-oxo-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-4-yl)acetamide
SMILESCOc1ccc(NC(=O)CC2C(=O)OCC3CCCCN32)cc1OC
InChIInChI=1S/C18H24N2O5/c1-23-15-7-6-12(9-16(15)24-2)19-17(21)10-14-18(22)25-11-13-5-3-4-8-20(13)14/h6-7,9,13-14H,3-5,8,10-11H2,1-2H3,(H,19,21)
InChIKeyAQGJEVHERCJSMX-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.81
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-2-(3-oxo-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-4-yl)acetamide

N-(3,4-dimethoxyphenyl)-2-(3-oxo-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-4-yl)acetamide (PubChem CID 4234432) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-(3-oxo-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-(3-oxo-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-4-yl)acetamide
PubChem CID4234432
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC NameN-(3,4-dimethoxyphenyl)-2-(3-oxo-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-4-yl)acetamide
SMILESCOc1ccc(NC(=O)CC2C(=O)OCC3CCCCN32)cc1OC
InChIInChI=1S/C18H24N2O5/c1-23-15-7-6-12(9-16(15)24-2)19-17(21)10-14-18(22)25-11-13-5-3-4-8-20(13)14/h6-7,9,13-14H,3-5,8,10-11H2,1-2H3,(H,19,21)
InChIKeyAQGJEVHERCJSMX-UHFFFAOYSA-N
XLogP1.81
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3,4-dimethoxyphenyl)-2-(3-oxo-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-4-yl)acetamide with MolForge

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Related Compounds

2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide
CID 2682853
N-(3,4-dimethoxyphenyl)-2-piperidin-2-ylacetamide
CID 43151267
2-[acetyl(cyclopentyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 113159345
N-(3-chloro-4-methoxyphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110859529
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
N-(3,4-dimethoxyphenyl)-2-[(2R)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]acetamide
CID 26842465
3-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 109033634
N-(3,4-dimethoxyphenyl)-3-pyrrolidin-1-ylsulfonylpropanamide
CID 110342568
N-(3,4-dimethoxyphenyl)-2-(1,1-dioxothian-4-yl)acetamide
CID 84577292
(2S)-N-(3,4-dimethoxyphenyl)-2-methylpiperidine-1-carboxamide
CID 1474768
N-(3,4-dimethoxyphenyl)-2-(2,6-dimethylpiperidin-1-yl)acetamide
CID 78843301
2-(4-aminopiperidin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 79322239

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-(3-oxo-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-4-yl)acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-(3-oxo-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-4-yl)acetamide (CID 4234432) is N-(3,4-dimethoxyphenyl)-2-(3-oxo-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-4-yl)acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-(3-oxo-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-4-yl)acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-(3-oxo-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-4-yl)acetamide is COc1ccc(NC(=O)CC2C(=O)OCC3CCCCN32)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-(3-oxo-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-4-yl)acetamide?
The InChIKey is AQGJEVHERCJSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-23-15-7-6-12(9-16(15)24-2)19-17(21)10-14-18(22)25-11-13-5-3-4-8-20(13)14/h6-7,9,13-14H,3-5,8,10-11H2,1-2H3,(H,19,21).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-(3-oxo-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-4-yl)acetamide?
N-(3,4-dimethoxyphenyl)-2-(3-oxo-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-4-yl)acetamide has a molecular weight of 348.40 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-(3-oxo-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-4-yl)acetamide is sourced from PubChem (CID 4234432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).