2-[(4aS,8aS)-2-oxo-4,4a,5,7,8,8a-hexahydro-1H-pyrido[4,3-d][1,3]oxazin-6-yl]-N-(4-acetamidophenyl)-2-oxoacetamide

C17H20N4O5 — CID 167962401

IUPAC2-[(4aS,8aS)-2-oxo-4,4a,5,7,8,8a-hexahydro-1H-pyrido[4,3-d][1,3]oxazin-6-yl]-N-(4-acetamidophenyl)-2-oxoacetamide
SMILESCC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1
InChIInChI=1S/C17H20N4O5/c1-10(22)18-12-2-4-13(5-3-12)19-15(23)16(24)21-7-6-14-11(8-21)9-26-17(25)20-14/h2-5,11,14H,6-9H2,1H3,(H,18,22)(H,19,23)(H,20,25)/t11-,14+/m1/s1
InChIKeySGSMATPRZAWKIM-RISCZKNCSA-N
MW360.37 g/mol
LogP0.54
Rot. Bonds2

About 2-[(4aS,8aS)-2-oxo-4,4a,5,7,8,8a-hexahydro-1H-pyrido[4,3-d][1,3]oxazin-6-yl]-N-(4-acetamidophenyl)-2-oxoacetamide

2-[(4aS,8aS)-2-oxo-4,4a,5,7,8,8a-hexahydro-1H-pyrido[4,3-d][1,3]oxazin-6-yl]-N-(4-acetamidophenyl)-2-oxoacetamide (PubChem CID 167962401) has the molecular formula C17H20N4O5 and a molecular weight of 360.37 g/mol. Its IUPAC name is 2-[(4aS,8aS)-2-oxo-4,4a,5,7,8,8a-hexahydro-1H-pyrido[4,3-d][1,3]oxazin-6-yl]-N-(4-acetamidophenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[(4aS,8aS)-2-oxo-4,4a,5,7,8,8a-hexahydro-1H-pyrido[4,3-d][1,3]oxazin-6-yl]-N-(4-acetamidophenyl)-2-oxoacetamide
PubChem CID167962401
Molecular FormulaC17H20N4O5
Molecular Weight360.37 g/mol
Exact Mass360.14
IUPAC Name2-[(4aS,8aS)-2-oxo-4,4a,5,7,8,8a-hexahydro-1H-pyrido[4,3-d][1,3]oxazin-6-yl]-N-(4-acetamidophenyl)-2-oxoacetamide
SMILESCC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1
InChIInChI=1S/C17H20N4O5/c1-10(22)18-12-2-4-13(5-3-12)19-15(23)16(24)21-7-6-14-11(8-21)9-26-17(25)20-14/h2-5,11,14H,6-9H2,1H3,(H,18,22)(H,19,23)(H,20,25)/t11-,14+/m1/s1
InChIKeySGSMATPRZAWKIM-RISCZKNCSA-N
XLogP0.54
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-[(4aS,8aS)-2-oxo-4,4a,5,7,8,8a-hexahydro-1H-pyrido[4,3-d][1,3]oxazin-6-yl]-N-(4-acetamidophenyl)-2-oxoacetamide with MolForge

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Related Compounds

N-(4-acetamidophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide
CID 45001311
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CID 67033891
N-(4-bromophenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
CID 47336374
N-(1,3-benzodioxol-5-yl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 75461854
N-[4-(diethylamino)phenyl]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
CID 108504633
N-(3-chloro-4-methylphenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoacetamide
CID 111567113
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-N-(4-phenylphenyl)acetamide
CID 111798598
N-(4-bromophenyl)-2-(3-hydroxypiperidin-1-yl)-2-oxoacetamide
CID 47336291
2-(4-acetylpiperazin-1-yl)-N-(1,3-benzodioxol-5-yl)-2-oxoacetamide
CID 108508457
N-[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]acetamide
CID 62918779
2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxoacetamide
CID 51049026
N-(3,4-dichlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoacetamide
CID 111798594

Frequently Asked Questions

What is the IUPAC name of 2-[(4aS,8aS)-2-oxo-4,4a,5,7,8,8a-hexahydro-1H-pyrido[4,3-d][1,3]oxazin-6-yl]-N-(4-acetamidophenyl)-2-oxoacetamide?
The IUPAC name of 2-[(4aS,8aS)-2-oxo-4,4a,5,7,8,8a-hexahydro-1H-pyrido[4,3-d][1,3]oxazin-6-yl]-N-(4-acetamidophenyl)-2-oxoacetamide (CID 167962401) is 2-[(4aS,8aS)-2-oxo-4,4a,5,7,8,8a-hexahydro-1H-pyrido[4,3-d][1,3]oxazin-6-yl]-N-(4-acetamidophenyl)-2-oxoacetamide.
What is the SMILES notation for 2-[(4aS,8aS)-2-oxo-4,4a,5,7,8,8a-hexahydro-1H-pyrido[4,3-d][1,3]oxazin-6-yl]-N-(4-acetamidophenyl)-2-oxoacetamide?
The canonical SMILES for 2-[(4aS,8aS)-2-oxo-4,4a,5,7,8,8a-hexahydro-1H-pyrido[4,3-d][1,3]oxazin-6-yl]-N-(4-acetamidophenyl)-2-oxoacetamide is CC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1.
What is the InChIKey of 2-[(4aS,8aS)-2-oxo-4,4a,5,7,8,8a-hexahydro-1H-pyrido[4,3-d][1,3]oxazin-6-yl]-N-(4-acetamidophenyl)-2-oxoacetamide?
The InChIKey is SGSMATPRZAWKIM-RISCZKNCSA-N. The full InChI is InChI=1S/C17H20N4O5/c1-10(22)18-12-2-4-13(5-3-12)19-15(23)16(24)21-7-6-14-11(8-21)9-26-17(25)20-14/h2-5,11,14H,6-9H2,1H3,(H,18,22)(H,19,23)(H,20,25)/t11-,14+/m1/s1.
What are the key properties of 2-[(4aS,8aS)-2-oxo-4,4a,5,7,8,8a-hexahydro-1H-pyrido[4,3-d][1,3]oxazin-6-yl]-N-(4-acetamidophenyl)-2-oxoacetamide?
2-[(4aS,8aS)-2-oxo-4,4a,5,7,8,8a-hexahydro-1H-pyrido[4,3-d][1,3]oxazin-6-yl]-N-(4-acetamidophenyl)-2-oxoacetamide has a molecular weight of 360.37 g/mol, XLogP of 0.54, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4aS,8aS)-2-oxo-4,4a,5,7,8,8a-hexahydro-1H-pyrido[4,3-d][1,3]oxazin-6-yl]-N-(4-acetamidophenyl)-2-oxoacetamide is sourced from PubChem (CID 167962401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).