1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(5-ethyl-3-methylfuran-2-yl)methanone

C15H21NO4 — CID 97246391

IUPAC1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(5-ethyl-3-methylfuran-2-yl)methanone
SMILESCCc1cc(C)c(C(=O)N2CCCC3(C2)OCCO3)o1
InChIInChI=1S/C15H21NO4/c1-3-12-9-11(2)13(20-12)14(17)16-6-4-5-15(10-16)18-7-8-19-15/h9H,3-8,10H2,1-2H3
InChIKeyZDMCAEDZDJWBSC-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.13
Rot. Bonds2

About 1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(5-ethyl-3-methylfuran-2-yl)methanone

1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(5-ethyl-3-methylfuran-2-yl)methanone (PubChem CID 97246391) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(5-ethyl-3-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(5-ethyl-3-methylfuran-2-yl)methanone
PubChem CID97246391
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(5-ethyl-3-methylfuran-2-yl)methanone
SMILESCCc1cc(C)c(C(=O)N2CCCC3(C2)OCCO3)o1
InChIInChI=1S/C15H21NO4/c1-3-12-9-11(2)13(20-12)14(17)16-6-4-5-15(10-16)18-7-8-19-15/h9H,3-8,10H2,1-2H3
InChIKeyZDMCAEDZDJWBSC-UHFFFAOYSA-N
XLogP2.13
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(5-ethyl-3-methylfuran-2-yl)methanone?
The IUPAC name of 1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(5-ethyl-3-methylfuran-2-yl)methanone (CID 97246391) is 1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(5-ethyl-3-methylfuran-2-yl)methanone.
What is the SMILES notation for 1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(5-ethyl-3-methylfuran-2-yl)methanone?
The canonical SMILES for 1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(5-ethyl-3-methylfuran-2-yl)methanone is CCc1cc(C)c(C(=O)N2CCCC3(C2)OCCO3)o1.
What is the InChIKey of 1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(5-ethyl-3-methylfuran-2-yl)methanone?
The InChIKey is ZDMCAEDZDJWBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-3-12-9-11(2)13(20-12)14(17)16-6-4-5-15(10-16)18-7-8-19-15/h9H,3-8,10H2,1-2H3.
What are the key properties of 1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(5-ethyl-3-methylfuran-2-yl)methanone?
1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(5-ethyl-3-methylfuran-2-yl)methanone has a molecular weight of 279.34 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(5-ethyl-3-methylfuran-2-yl)methanone is sourced from PubChem (CID 97246391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).