(4aR,8aS)-N-(3-chlorophenyl)-1-methyl-2-oxo-4,4a,5,6,8,8a-hexahydropyrido[3,4-d][1,3]oxazine-7-carboxamide

C15H18ClN3O3 — CID 155901475

IUPAC(4aR,8aS)-N-(3-chlorophenyl)-1-methyl-2-oxo-4,4a,5,6,8,8a-hexahydropyrido[3,4-d][1,3]oxazine-7-carboxamide
SMILESCN1C(=O)OC[C@@H]2CCN(C(=O)Nc3cccc(Cl)c3)C[C@H]21
InChIInChI=1S/C15H18ClN3O3/c1-18-13-8-19(6-5-10(13)9-22-15(18)21)14(20)17-12-4-2-3-11(16)7-12/h2-4,7,10,13H,5-6,8-9H2,1H3,(H,17,20)/t10-,13+/m0/s1
InChIKeyYGAWGHKBTYFLCO-GXFFZTMASA-N
MW323.78 g/mol
LogP2.64
Rot. Bonds1

About (4aR,8aS)-N-(3-chlorophenyl)-1-methyl-2-oxo-4,4a,5,6,8,8a-hexahydropyrido[3,4-d][1,3]oxazine-7-carboxamide

(4aR,8aS)-N-(3-chlorophenyl)-1-methyl-2-oxo-4,4a,5,6,8,8a-hexahydropyrido[3,4-d][1,3]oxazine-7-carboxamide (PubChem CID 155901475) has the molecular formula C15H18ClN3O3 and a molecular weight of 323.78 g/mol. Its IUPAC name is (4aR,8aS)-N-(3-chlorophenyl)-1-methyl-2-oxo-4,4a,5,6,8,8a-hexahydropyrido[3,4-d][1,3]oxazine-7-carboxamide.

Molecular Properties

Compound Name(4aR,8aS)-N-(3-chlorophenyl)-1-methyl-2-oxo-4,4a,5,6,8,8a-hexahydropyrido[3,4-d][1,3]oxazine-7-carboxamide
PubChem CID155901475
Molecular FormulaC15H18ClN3O3
Molecular Weight323.78 g/mol
Exact Mass323.10
IUPAC Name(4aR,8aS)-N-(3-chlorophenyl)-1-methyl-2-oxo-4,4a,5,6,8,8a-hexahydropyrido[3,4-d][1,3]oxazine-7-carboxamide
SMILESCN1C(=O)OC[C@@H]2CCN(C(=O)Nc3cccc(Cl)c3)C[C@H]21
InChIInChI=1S/C15H18ClN3O3/c1-18-13-8-19(6-5-10(13)9-22-15(18)21)14(20)17-12-4-2-3-11(16)7-12/h2-4,7,10,13H,5-6,8-9H2,1H3,(H,17,20)/t10-,13+/m0/s1
InChIKeyYGAWGHKBTYFLCO-GXFFZTMASA-N
XLogP2.64
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4aR,8aS)-N-(3-chlorophenyl)-1-methyl-2-oxo-4,4a,5,6,8,8a-hexahydropyrido[3,4-d][1,3]oxazine-7-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (4aR,8aS)-N-(3-chlorophenyl)-1-methyl-2-oxo-4,4a,5,6,8,8a-hexahydropyrido[3,4-d][1,3]oxazine-7-carboxamide?
The IUPAC name of (4aR,8aS)-N-(3-chlorophenyl)-1-methyl-2-oxo-4,4a,5,6,8,8a-hexahydropyrido[3,4-d][1,3]oxazine-7-carboxamide (CID 155901475) is (4aR,8aS)-N-(3-chlorophenyl)-1-methyl-2-oxo-4,4a,5,6,8,8a-hexahydropyrido[3,4-d][1,3]oxazine-7-carboxamide.
What is the SMILES notation for (4aR,8aS)-N-(3-chlorophenyl)-1-methyl-2-oxo-4,4a,5,6,8,8a-hexahydropyrido[3,4-d][1,3]oxazine-7-carboxamide?
The canonical SMILES for (4aR,8aS)-N-(3-chlorophenyl)-1-methyl-2-oxo-4,4a,5,6,8,8a-hexahydropyrido[3,4-d][1,3]oxazine-7-carboxamide is CN1C(=O)OC[C@@H]2CCN(C(=O)Nc3cccc(Cl)c3)C[C@H]21.
What is the InChIKey of (4aR,8aS)-N-(3-chlorophenyl)-1-methyl-2-oxo-4,4a,5,6,8,8a-hexahydropyrido[3,4-d][1,3]oxazine-7-carboxamide?
The InChIKey is YGAWGHKBTYFLCO-GXFFZTMASA-N. The full InChI is InChI=1S/C15H18ClN3O3/c1-18-13-8-19(6-5-10(13)9-22-15(18)21)14(20)17-12-4-2-3-11(16)7-12/h2-4,7,10,13H,5-6,8-9H2,1H3,(H,17,20)/t10-,13+/m0/s1.
What are the key properties of (4aR,8aS)-N-(3-chlorophenyl)-1-methyl-2-oxo-4,4a,5,6,8,8a-hexahydropyrido[3,4-d][1,3]oxazine-7-carboxamide?
(4aR,8aS)-N-(3-chlorophenyl)-1-methyl-2-oxo-4,4a,5,6,8,8a-hexahydropyrido[3,4-d][1,3]oxazine-7-carboxamide has a molecular weight of 323.78 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aS)-N-(3-chlorophenyl)-1-methyl-2-oxo-4,4a,5,6,8,8a-hexahydropyrido[3,4-d][1,3]oxazine-7-carboxamide is sourced from PubChem (CID 155901475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).