8-(furan-3-ylmethyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one

C17H26N2O2 — CID 97393152

IUPAC8-(furan-3-ylmethyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCC(C)CN1CCC2(CCN(Cc3ccoc3)CC2)C1=O
InChIInChI=1S/C17H26N2O2/c1-14(2)11-19-9-6-17(16(19)20)4-7-18(8-5-17)12-15-3-10-21-13-15/h3,10,13-14H,4-9,11-12H2,1-2H3
InChIKeyCYMDJQLFUJKENI-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.75
Rot. Bonds4

About 8-(furan-3-ylmethyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one

8-(furan-3-ylmethyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 97393152) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 8-(furan-3-ylmethyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(furan-3-ylmethyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID97393152
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name8-(furan-3-ylmethyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCC(C)CN1CCC2(CCN(Cc3ccoc3)CC2)C1=O
InChIInChI=1S/C17H26N2O2/c1-14(2)11-19-9-6-17(16(19)20)4-7-18(8-5-17)12-15-3-10-21-13-15/h3,10,13-14H,4-9,11-12H2,1-2H3
InChIKeyCYMDJQLFUJKENI-UHFFFAOYSA-N
XLogP2.75
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Icosa-5,8,11,14-tetraenoic acid furan-3-ylmethyl-methyl-amide
CID 10883832
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(furan-3-ylmethyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine
CID 45242580
N-[2-(furan-3-carbonylamino)ethyl]-1-(2-methylpropyl)piperidine-4-carboxamide
CID 53501847
N-Cyclohexyl-N-(furan-3-ylmethyl)acetamide
CID 71929849
Tert-butyl 3-[ethyl(furan-3-ylmethyl)carbamoyl]pyrrolidine-1-carboxylate
CID 72004265
1-(cyclopentylcarbonyl)-N-(3-furylmethyl)-N-methyl-4-piperidinecarboxamide
CID 72901888
(5S,10S)-10-ethyl-9-(furan-3-ylmethyl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 97362530
2-(Cyclopropylmethyl)-8-(furan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97370267
7-(Furan-3-ylmethyl)-1-(oxan-4-ylmethyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
CID 97390089
(5R,9R)-2-[2-(dimethylamino)ethyl]-7-(furan-3-carbonyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one
CID 97392309
[1-[2-(Dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(furan-3-yl)methanone
CID 97396901
2-[(5S,9S)-7-(furan-3-ylmethyl)-9-methyl-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]-N,N-dimethylacetamide
CID 97471730

Frequently Asked Questions

What is the IUPAC name of 8-(furan-3-ylmethyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-(furan-3-ylmethyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one (CID 97393152) is 8-(furan-3-ylmethyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(furan-3-ylmethyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(furan-3-ylmethyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one is CC(C)CN1CCC2(CCN(Cc3ccoc3)CC2)C1=O.
What is the InChIKey of 8-(furan-3-ylmethyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is CYMDJQLFUJKENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14(2)11-19-9-6-17(16(19)20)4-7-18(8-5-17)12-15-3-10-21-13-15/h3,10,13-14H,4-9,11-12H2,1-2H3.
What are the key properties of 8-(furan-3-ylmethyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one?
8-(furan-3-ylmethyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 290.41 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(furan-3-ylmethyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97393152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).