2-[8-(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide

C18H28N2O3 — CID 118738830

IUPAC2-[8-(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CC1COC2(CCN(Cc3ccco3)CC2)C1
InChIInChI=1S/C18H28N2O3/c1-14(2)19-17(21)10-15-11-18(23-13-15)5-7-20(8-6-18)12-16-4-3-9-22-16/h3-4,9,14-15H,5-8,10-13H2,1-2H3,(H,19,21)
InChIKeyRGTQBJWAHBZQGO-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.57
Rot. Bonds5

About 2-[8-(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide

2-[8-(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide (PubChem CID 118738830) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 2-[8-(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[8-(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide
PubChem CID118738830
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name2-[8-(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CC1COC2(CCN(Cc3ccco3)CC2)C1
InChIInChI=1S/C18H28N2O3/c1-14(2)19-17(21)10-15-11-18(23-13-15)5-7-20(8-6-18)12-16-4-3-9-22-16/h3-4,9,14-15H,5-8,10-13H2,1-2H3,(H,19,21)
InChIKeyRGTQBJWAHBZQGO-UHFFFAOYSA-N
XLogP2.57
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[8-(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[8-(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide (CID 118738830) is 2-[8-(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[8-(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[8-(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CC1COC2(CCN(Cc3ccco3)CC2)C1.
What is the InChIKey of 2-[8-(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide?
The InChIKey is RGTQBJWAHBZQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-14(2)19-17(21)10-15-11-18(23-13-15)5-7-20(8-6-18)12-16-4-3-9-22-16/h3-4,9,14-15H,5-8,10-13H2,1-2H3,(H,19,21).
What are the key properties of 2-[8-(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide?
2-[8-(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide has a molecular weight of 320.43 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 118738830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).