3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methanone

C16H28N2O3 — CID 114829028

IUPAC3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methanone
SMILESCCOC1CC(N)(C(=O)N2CCOC3CCCC32)C1(C)C
InChIInChI=1S/C16H28N2O3/c1-4-20-13-10-16(17,15(13,2)3)14(19)18-8-9-21-12-7-5-6-11(12)18/h11-13H,4-10,17H2,1-3H3
InChIKeyLINWNYLDXSZZJO-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.30
Rot. Bonds3

About 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methanone

3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methanone (PubChem CID 114829028) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methanone.

Molecular Properties

Compound Name3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methanone
PubChem CID114829028
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methanone
SMILESCCOC1CC(N)(C(=O)N2CCOC3CCCC32)C1(C)C
InChIInChI=1S/C16H28N2O3/c1-4-20-13-10-16(17,15(13,2)3)14(19)18-8-9-21-12-7-5-6-11(12)18/h11-13H,4-10,17H2,1-3H3
InChIKeyLINWNYLDXSZZJO-UHFFFAOYSA-N
XLogP1.30
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methanone?
The IUPAC name of 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methanone (CID 114829028) is 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methanone.
What is the SMILES notation for 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methanone?
The canonical SMILES for 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methanone is CCOC1CC(N)(C(=O)N2CCOC3CCCC32)C1(C)C.
What is the InChIKey of 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methanone?
The InChIKey is LINWNYLDXSZZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-4-20-13-10-16(17,15(13,2)3)14(19)18-8-9-21-12-7-5-6-11(12)18/h11-13H,4-10,17H2,1-3H3.
What are the key properties of 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methanone?
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methanone has a molecular weight of 296.41 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)methanone is sourced from PubChem (CID 114829028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).