[3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(oxolan-2-yl)methanone

C15H26N2O3 — CID 110197186

IUPAC[3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(oxolan-2-yl)methanone
SMILESCCN(C1CCOCC1)C1CN(C(=O)C2CCCO2)C1
InChIInChI=1S/C15H26N2O3/c1-2-17(12-5-8-19-9-6-12)13-10-16(11-13)15(18)14-4-3-7-20-14/h12-14H,2-11H2,1H3
InChIKeyWKNMQQINNXFKJO-UHFFFAOYSA-N
MW282.38 g/mol
LogP0.88
Rot. Bonds4

About [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(oxolan-2-yl)methanone

[3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 110197186) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(oxolan-2-yl)methanone
PubChem CID110197186
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name[3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(oxolan-2-yl)methanone
SMILESCCN(C1CCOCC1)C1CN(C(=O)C2CCCO2)C1
InChIInChI=1S/C15H26N2O3/c1-2-17(12-5-8-19-9-6-12)13-10-16(11-13)15(18)14-4-3-7-20-14/h12-14H,2-11H2,1H3
InChIKeyWKNMQQINNXFKJO-UHFFFAOYSA-N
XLogP0.88
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(oxolan-2-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 [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(oxolan-2-yl)methanone (CID 110197186) is [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(oxolan-2-yl)methanone is CCN(C1CCOCC1)C1CN(C(=O)C2CCCO2)C1.
What is the InChIKey of [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is WKNMQQINNXFKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-2-17(12-5-8-19-9-6-12)13-10-16(11-13)15(18)14-4-3-7-20-14/h12-14H,2-11H2,1H3.
What are the key properties of [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(oxolan-2-yl)methanone?
[3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 282.38 g/mol, XLogP of 0.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 110197186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).