N-[(8aS)-6,8-dimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[2,3-e][1,3]oxazin-7-yl]benzamide

C22H24N2O5 — CID 45050154

IUPACN-[(8aS)-6,8-dimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[2,3-e][1,3]oxazin-7-yl]benzamide
SMILESCOC1OC2CN=C(c3ccccc3)O[C@@H]2C(OC)C1NC(=O)c1ccccc1
InChIInChI=1S/C22H24N2O5/c1-26-19-17(24-20(25)14-9-5-3-6-10-14)22(27-2)28-16-13-23-21(29-18(16)19)15-11-7-4-8-12-15/h3-12,16-19,22H,13H2,1-2H3,(H,24,25)/t16?,17?,18-,19?,22?/m0/s1
InChIKeyNGSCDLAFRPLQAD-VAHISZMNSA-N
MW396.44 g/mol
LogP2.02
Rot. Bonds5

About N-[(8aS)-6,8-dimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[2,3-e][1,3]oxazin-7-yl]benzamide

N-[(8aS)-6,8-dimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[2,3-e][1,3]oxazin-7-yl]benzamide (PubChem CID 45050154) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is N-[(8aS)-6,8-dimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[2,3-e][1,3]oxazin-7-yl]benzamide.

Molecular Properties

Compound NameN-[(8aS)-6,8-dimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[2,3-e][1,3]oxazin-7-yl]benzamide
PubChem CID45050154
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC NameN-[(8aS)-6,8-dimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[2,3-e][1,3]oxazin-7-yl]benzamide
SMILESCOC1OC2CN=C(c3ccccc3)O[C@@H]2C(OC)C1NC(=O)c1ccccc1
InChIInChI=1S/C22H24N2O5/c1-26-19-17(24-20(25)14-9-5-3-6-10-14)22(27-2)28-16-13-23-21(29-18(16)19)15-11-7-4-8-12-15/h3-12,16-19,22H,13H2,1-2H3,(H,24,25)/t16?,17?,18-,19?,22?/m0/s1
InChIKeyNGSCDLAFRPLQAD-VAHISZMNSA-N
XLogP2.02
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(8aS)-6,8-dimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[2,3-e][1,3]oxazin-7-yl]benzamide with MolForge

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Related Compounds

N-[(2R,3R,4R,5R,6R)-5-benzamido-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]benzamide
CID 54063653
N-[(2R,3R,4R,5R)-5-(1,2-dihydroxyethyl)-2,4-dimethoxyoxolan-3-yl]benzamide
CID 51055941
[2-(aminomethyl)-5-benzamido-4,6-dimethoxyoxan-3-yl] methanesulfonate
CID 3455692
N-[(2S,4aR,6S,7S,8S,8aS)-8-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]benzamide
CID 39355615
N-[(2S,4aR,6R,7R,8S,8aR)-8-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]benzamide
CID 124918908
[(3S)-2-(azidomethyl)-5-benzamido-4,6-dimethoxyoxan-3-yl] methanesulfonate
CID 45050103
[(2R,3R,4R,5R,6R)-4,5-dibenzamido-3-hydroxy-6-methoxyoxan-2-yl]methyl methanesulfonate
CID 51055912
[2-benzamido-1-[(2S,3R,4R,5R)-4-benzamido-3,5-dimethoxyoxolan-2-yl]ethyl] methanesulfonate
CID 44725237
[(1S)-2-benzamido-1-(4-benzamido-3,5-dimethoxyoxolan-2-yl)ethyl] methanesulfonate
CID 45050158
[(2S,3R,4R,5S,6S)-2-(azidomethyl)-5-benzamido-3-hydroxy-6-methoxyoxan-4-yl] methanesulfonate
CID 92840871
[(1S,2R,4R,5R,6S)-5-benzamido-4-methoxy-3,7-dioxabicyclo[4.1.0]heptan-2-yl]methyl acetate
CID 7761469
[(2S,4aS,6S,7R,8R,8aS)-7-benzamido-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] 4-methylbenzenesulfonate
CID 98548450

Frequently Asked Questions

What is the IUPAC name of N-[(8aS)-6,8-dimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[2,3-e][1,3]oxazin-7-yl]benzamide?
The IUPAC name of N-[(8aS)-6,8-dimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[2,3-e][1,3]oxazin-7-yl]benzamide (CID 45050154) is N-[(8aS)-6,8-dimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[2,3-e][1,3]oxazin-7-yl]benzamide.
What is the SMILES notation for N-[(8aS)-6,8-dimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[2,3-e][1,3]oxazin-7-yl]benzamide?
The canonical SMILES for N-[(8aS)-6,8-dimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[2,3-e][1,3]oxazin-7-yl]benzamide is COC1OC2CN=C(c3ccccc3)O[C@@H]2C(OC)C1NC(=O)c1ccccc1.
What is the InChIKey of N-[(8aS)-6,8-dimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[2,3-e][1,3]oxazin-7-yl]benzamide?
The InChIKey is NGSCDLAFRPLQAD-VAHISZMNSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-26-19-17(24-20(25)14-9-5-3-6-10-14)22(27-2)28-16-13-23-21(29-18(16)19)15-11-7-4-8-12-15/h3-12,16-19,22H,13H2,1-2H3,(H,24,25)/t16?,17?,18-,19?,22?/m0/s1.
What are the key properties of N-[(8aS)-6,8-dimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[2,3-e][1,3]oxazin-7-yl]benzamide?
N-[(8aS)-6,8-dimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[2,3-e][1,3]oxazin-7-yl]benzamide has a molecular weight of 396.44 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8aS)-6,8-dimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[2,3-e][1,3]oxazin-7-yl]benzamide is sourced from PubChem (CID 45050154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).