1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]ethanone

C24H37N3O3 — CID 56569851

IUPAC1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]ethanone
SMILESCC(CN1CCOCC1)N(CC(=O)N1CCOC2CCCCC21)Cc1ccccc1
InChIInChI=1S/C24H37N3O3/c1-20(17-25-11-14-29-15-12-25)26(18-21-7-3-2-4-8-21)19-24(28)27-13-16-30-23-10-6-5-9-22(23)27/h2-4,7-8,20,22-23H,5-6,9-19H2,1H3
InChIKeyGQLMVANNEFMUPR-UHFFFAOYSA-N
MW415.58 g/mol
LogP2.38
Rot. Bonds7

About 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]ethanone

1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]ethanone (PubChem CID 56569851) has the molecular formula C24H37N3O3 and a molecular weight of 415.58 g/mol. Its IUPAC name is 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]ethanone
PubChem CID56569851
Molecular FormulaC24H37N3O3
Molecular Weight415.58 g/mol
Exact Mass415.28
IUPAC Name1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]ethanone
SMILESCC(CN1CCOCC1)N(CC(=O)N1CCOC2CCCCC21)Cc1ccccc1
InChIInChI=1S/C24H37N3O3/c1-20(17-25-11-14-29-15-12-25)26(18-21-7-3-2-4-8-21)19-24(28)27-13-16-30-23-10-6-5-9-22(23)27/h2-4,7-8,20,22-23H,5-6,9-19H2,1H3
InChIKeyGQLMVANNEFMUPR-UHFFFAOYSA-N
XLogP2.38
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.58
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]ethanone 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 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]ethanone?
The IUPAC name of 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]ethanone (CID 56569851) is 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]ethanone.
What is the SMILES notation for 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]ethanone?
The canonical SMILES for 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]ethanone is CC(CN1CCOCC1)N(CC(=O)N1CCOC2CCCCC21)Cc1ccccc1.
What is the InChIKey of 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]ethanone?
The InChIKey is GQLMVANNEFMUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O3/c1-20(17-25-11-14-29-15-12-25)26(18-21-7-3-2-4-8-21)19-24(28)27-13-16-30-23-10-6-5-9-22(23)27/h2-4,7-8,20,22-23H,5-6,9-19H2,1H3.
What are the key properties of 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]ethanone?
1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]ethanone has a molecular weight of 415.58 g/mol, XLogP of 2.38, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]ethanone is sourced from PubChem (CID 56569851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).