2-[[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-oxoethyl]-propan-2-ylamino]acetamide

C15H27N3O3 — CID 56796775

IUPAC2-[[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-oxoethyl]-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)CC(=O)N1CCOC2CCCCC21
InChIInChI=1S/C15H27N3O3/c1-11(2)17(9-14(16)19)10-15(20)18-7-8-21-13-6-4-3-5-12(13)18/h11-13H,3-10H2,1-2H3,(H2,16,19)
InChIKeyVGHCSQJMUFWCJU-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.35
Rot. Bonds5

About 2-[[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-oxoethyl]-propan-2-ylamino]acetamide

2-[[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-oxoethyl]-propan-2-ylamino]acetamide (PubChem CID 56796775) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-oxoethyl]-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-oxoethyl]-propan-2-ylamino]acetamide
PubChem CID56796775
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name2-[[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-oxoethyl]-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)CC(=O)N1CCOC2CCCCC21
InChIInChI=1S/C15H27N3O3/c1-11(2)17(9-14(16)19)10-15(20)18-7-8-21-13-6-4-3-5-12(13)18/h11-13H,3-10H2,1-2H3,(H2,16,19)
InChIKeyVGHCSQJMUFWCJU-UHFFFAOYSA-N
XLogP0.35
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-oxoethyl]-propan-2-ylamino]acetamide?
The IUPAC name of 2-[[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-oxoethyl]-propan-2-ylamino]acetamide (CID 56796775) is 2-[[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-oxoethyl]-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-oxoethyl]-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-oxoethyl]-propan-2-ylamino]acetamide is CC(C)N(CC(N)=O)CC(=O)N1CCOC2CCCCC21.
What is the InChIKey of 2-[[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-oxoethyl]-propan-2-ylamino]acetamide?
The InChIKey is VGHCSQJMUFWCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-11(2)17(9-14(16)19)10-15(20)18-7-8-21-13-6-4-3-5-12(13)18/h11-13H,3-10H2,1-2H3,(H2,16,19).
What are the key properties of 2-[[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-oxoethyl]-propan-2-ylamino]acetamide?
2-[[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-oxoethyl]-propan-2-ylamino]acetamide has a molecular weight of 297.40 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-oxoethyl]-propan-2-ylamino]acetamide is sourced from PubChem (CID 56796775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).