9-(2-methoxyethyl)-3-phenyl-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one

C20H25NO4 — CID 73402916

IUPAC9-(2-methoxyethyl)-3-phenyl-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one
SMILESCOCCN1COC2CCC3C(=O)C(c4ccccc4)=COC3C2C1
InChIInChI=1S/C20H25NO4/c1-23-10-9-21-11-16-18(25-13-21)8-7-15-19(22)17(12-24-20(15)16)14-5-3-2-4-6-14/h2-6,12,15-16,18,20H,7-11,13H2,1H3
InChIKeyHBIAYNXNPRQHNS-UHFFFAOYSA-N
MW343.42 g/mol
LogP2.33
Rot. Bonds4

About 9-(2-methoxyethyl)-3-phenyl-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one

9-(2-methoxyethyl)-3-phenyl-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one (PubChem CID 73402916) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is 9-(2-methoxyethyl)-3-phenyl-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one.

Molecular Properties

Compound Name9-(2-methoxyethyl)-3-phenyl-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one
PubChem CID73402916
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name9-(2-methoxyethyl)-3-phenyl-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one
SMILESCOCCN1COC2CCC3C(=O)C(c4ccccc4)=COC3C2C1
InChIInChI=1S/C20H25NO4/c1-23-10-9-21-11-16-18(25-13-21)8-7-15-19(22)17(12-24-20(15)16)14-5-3-2-4-6-14/h2-6,12,15-16,18,20H,7-11,13H2,1H3
InChIKeyHBIAYNXNPRQHNS-UHFFFAOYSA-N
XLogP2.33
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-(2-methoxyethyl)-3-phenyl-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-(2-methoxyethyl)-3-phenyl-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one?
The IUPAC name of 9-(2-methoxyethyl)-3-phenyl-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one (CID 73402916) is 9-(2-methoxyethyl)-3-phenyl-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one.
What is the SMILES notation for 9-(2-methoxyethyl)-3-phenyl-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one?
The canonical SMILES for 9-(2-methoxyethyl)-3-phenyl-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one is COCCN1COC2CCC3C(=O)C(c4ccccc4)=COC3C2C1.
What is the InChIKey of 9-(2-methoxyethyl)-3-phenyl-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one?
The InChIKey is HBIAYNXNPRQHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-23-10-9-21-11-16-18(25-13-21)8-7-15-19(22)17(12-24-20(15)16)14-5-3-2-4-6-14/h2-6,12,15-16,18,20H,7-11,13H2,1H3.
What are the key properties of 9-(2-methoxyethyl)-3-phenyl-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one?
9-(2-methoxyethyl)-3-phenyl-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one has a molecular weight of 343.42 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methoxyethyl)-3-phenyl-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one is sourced from PubChem (CID 73402916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).