2-methyl-1-[8-[(5-methylfuran-2-yl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]propan-1-one

C18H28N2O2 — CID 97493543

IUPAC2-methyl-1-[8-[(5-methylfuran-2-yl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]propan-1-one
SMILESCc1ccc(CN2CCC3(CCCN3C(=O)C(C)C)CC2)o1
InChIInChI=1S/C18H28N2O2/c1-14(2)17(21)20-10-4-7-18(20)8-11-19(12-9-18)13-16-6-5-15(3)22-16/h5-6,14H,4,7-13H2,1-3H3
InChIKeyYYVGHWPPWFSAKJ-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.20
Rot. Bonds3

About 2-methyl-1-[8-[(5-methylfuran-2-yl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]propan-1-one

2-methyl-1-[8-[(5-methylfuran-2-yl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]propan-1-one (PubChem CID 97493543) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-methyl-1-[8-[(5-methylfuran-2-yl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[8-[(5-methylfuran-2-yl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]propan-1-one
PubChem CID97493543
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2-methyl-1-[8-[(5-methylfuran-2-yl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]propan-1-one
SMILESCc1ccc(CN2CCC3(CCCN3C(=O)C(C)C)CC2)o1
InChIInChI=1S/C18H28N2O2/c1-14(2)17(21)20-10-4-7-18(20)8-11-19(12-9-18)13-16-6-5-15(3)22-16/h5-6,14H,4,7-13H2,1-3H3
InChIKeyYYVGHWPPWFSAKJ-UHFFFAOYSA-N
XLogP3.20
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[8-[(5-methylfuran-2-yl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[8-[(5-methylfuran-2-yl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]propan-1-one (CID 97493543) is 2-methyl-1-[8-[(5-methylfuran-2-yl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[8-[(5-methylfuran-2-yl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[8-[(5-methylfuran-2-yl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]propan-1-one is Cc1ccc(CN2CCC3(CCCN3C(=O)C(C)C)CC2)o1.
What is the InChIKey of 2-methyl-1-[8-[(5-methylfuran-2-yl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]propan-1-one?
The InChIKey is YYVGHWPPWFSAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-14(2)17(21)20-10-4-7-18(20)8-11-19(12-9-18)13-16-6-5-15(3)22-16/h5-6,14H,4,7-13H2,1-3H3.
What are the key properties of 2-methyl-1-[8-[(5-methylfuran-2-yl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]propan-1-one?
2-methyl-1-[8-[(5-methylfuran-2-yl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]propan-1-one has a molecular weight of 304.43 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[8-[(5-methylfuran-2-yl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]propan-1-one is sourced from PubChem (CID 97493543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).