3-methyl-8-[[5-(oxan-2-yl)furan-2-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C18H26N2O4 — CID 77095496

IUPAC3-methyl-8-[[5-(oxan-2-yl)furan-2-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN1CC2(CCN(Cc3ccc(C4CCCCO4)o3)CC2)OC1=O
InChIInChI=1S/C18H26N2O4/c1-19-13-18(24-17(19)21)7-9-20(10-8-18)12-14-5-6-16(23-14)15-4-2-3-11-22-15/h5-6,15H,2-4,7-13H2,1H3
InChIKeyNXYNRLRCDGLCFT-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.94
Rot. Bonds3

About 3-methyl-8-[[5-(oxan-2-yl)furan-2-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-methyl-8-[[5-(oxan-2-yl)furan-2-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 77095496) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-methyl-8-[[5-(oxan-2-yl)furan-2-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-methyl-8-[[5-(oxan-2-yl)furan-2-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID77095496
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name3-methyl-8-[[5-(oxan-2-yl)furan-2-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN1CC2(CCN(Cc3ccc(C4CCCCO4)o3)CC2)OC1=O
InChIInChI=1S/C18H26N2O4/c1-19-13-18(24-17(19)21)7-9-20(10-8-18)12-14-5-6-16(23-14)15-4-2-3-11-22-15/h5-6,15H,2-4,7-13H2,1H3
InChIKeyNXYNRLRCDGLCFT-UHFFFAOYSA-N
XLogP2.94
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-[[5-(oxan-2-yl)furan-2-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-methyl-8-[[5-(oxan-2-yl)furan-2-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 77095496) is 3-methyl-8-[[5-(oxan-2-yl)furan-2-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-methyl-8-[[5-(oxan-2-yl)furan-2-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-methyl-8-[[5-(oxan-2-yl)furan-2-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CN1CC2(CCN(Cc3ccc(C4CCCCO4)o3)CC2)OC1=O.
What is the InChIKey of 3-methyl-8-[[5-(oxan-2-yl)furan-2-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is NXYNRLRCDGLCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-19-13-18(24-17(19)21)7-9-20(10-8-18)12-14-5-6-16(23-14)15-4-2-3-11-22-15/h5-6,15H,2-4,7-13H2,1H3.
What are the key properties of 3-methyl-8-[[5-(oxan-2-yl)furan-2-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-methyl-8-[[5-(oxan-2-yl)furan-2-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 334.42 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-[[5-(oxan-2-yl)furan-2-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 77095496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).