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

C15H22N2O3 — CID 110197167

IUPAC[3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(furan-3-yl)methanone
SMILESCCN(C1CCOCC1)C1CN(C(=O)c2ccoc2)C1
InChIInChI=1S/C15H22N2O3/c1-2-17(13-4-7-19-8-5-13)14-9-16(10-14)15(18)12-3-6-20-11-12/h3,6,11,13-14H,2,4-5,7-10H2,1H3
InChIKeySDBINSBVLPFXPL-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.60
Rot. Bonds4

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

[3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(furan-3-yl)methanone (PubChem CID 110197167) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(furan-3-yl)methanone
PubChem CID110197167
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name[3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(furan-3-yl)methanone
SMILESCCN(C1CCOCC1)C1CN(C(=O)c2ccoc2)C1
InChIInChI=1S/C15H22N2O3/c1-2-17(13-4-7-19-8-5-13)14-9-16(10-14)15(18)12-3-6-20-11-12/h3,6,11,13-14H,2,4-5,7-10H2,1H3
InChIKeySDBINSBVLPFXPL-UHFFFAOYSA-N
XLogP1.60
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(furan-3-yl)methanone (CID 110197167) is [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(furan-3-yl)methanone is CCN(C1CCOCC1)C1CN(C(=O)c2ccoc2)C1.
What is the InChIKey of [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(furan-3-yl)methanone?
The InChIKey is SDBINSBVLPFXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-17(13-4-7-19-8-5-13)14-9-16(10-14)15(18)12-3-6-20-11-12/h3,6,11,13-14H,2,4-5,7-10H2,1H3.
What are the key properties of [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(furan-3-yl)methanone?
[3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(furan-3-yl)methanone has a molecular weight of 278.35 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 [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 110197167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).