(6-ethyl-5-propyl-1,4-dioxan-2-yl)-(1,4-oxazepan-4-yl)methanone

C15H27NO4 — CID 167310843

IUPAC(6-ethyl-5-propyl-1,4-dioxan-2-yl)-(1,4-oxazepan-4-yl)methanone
SMILESCCCC1OCC(C(=O)N2CCCOCC2)OC1CC
InChIInChI=1S/C15H27NO4/c1-3-6-13-12(4-2)20-14(11-19-13)15(17)16-7-5-9-18-10-8-16/h12-14H,3-11H2,1-2H3
InChIKeyRDDMYYYDQAIDHZ-UHFFFAOYSA-N
MW285.38 g/mol
LogP1.60
Rot. Bonds4

About (6-ethyl-5-propyl-1,4-dioxan-2-yl)-(1,4-oxazepan-4-yl)methanone

(6-ethyl-5-propyl-1,4-dioxan-2-yl)-(1,4-oxazepan-4-yl)methanone (PubChem CID 167310843) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is (6-ethyl-5-propyl-1,4-dioxan-2-yl)-(1,4-oxazepan-4-yl)methanone.

Molecular Properties

Compound Name(6-ethyl-5-propyl-1,4-dioxan-2-yl)-(1,4-oxazepan-4-yl)methanone
PubChem CID167310843
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name(6-ethyl-5-propyl-1,4-dioxan-2-yl)-(1,4-oxazepan-4-yl)methanone
SMILESCCCC1OCC(C(=O)N2CCCOCC2)OC1CC
InChIInChI=1S/C15H27NO4/c1-3-6-13-12(4-2)20-14(11-19-13)15(17)16-7-5-9-18-10-8-16/h12-14H,3-11H2,1-2H3
InChIKeyRDDMYYYDQAIDHZ-UHFFFAOYSA-N
XLogP1.60
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6-ethyl-5-propyl-1,4-dioxan-2-yl)-(1,4-oxazepan-4-yl)methanone 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 (6-ethyl-5-propyl-1,4-dioxan-2-yl)-(1,4-oxazepan-4-yl)methanone?
The IUPAC name of (6-ethyl-5-propyl-1,4-dioxan-2-yl)-(1,4-oxazepan-4-yl)methanone (CID 167310843) is (6-ethyl-5-propyl-1,4-dioxan-2-yl)-(1,4-oxazepan-4-yl)methanone.
What is the SMILES notation for (6-ethyl-5-propyl-1,4-dioxan-2-yl)-(1,4-oxazepan-4-yl)methanone?
The canonical SMILES for (6-ethyl-5-propyl-1,4-dioxan-2-yl)-(1,4-oxazepan-4-yl)methanone is CCCC1OCC(C(=O)N2CCCOCC2)OC1CC.
What is the InChIKey of (6-ethyl-5-propyl-1,4-dioxan-2-yl)-(1,4-oxazepan-4-yl)methanone?
The InChIKey is RDDMYYYDQAIDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-3-6-13-12(4-2)20-14(11-19-13)15(17)16-7-5-9-18-10-8-16/h12-14H,3-11H2,1-2H3.
What are the key properties of (6-ethyl-5-propyl-1,4-dioxan-2-yl)-(1,4-oxazepan-4-yl)methanone?
(6-ethyl-5-propyl-1,4-dioxan-2-yl)-(1,4-oxazepan-4-yl)methanone has a molecular weight of 285.38 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethyl-5-propyl-1,4-dioxan-2-yl)-(1,4-oxazepan-4-yl)methanone is sourced from PubChem (CID 167310843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).