3,3-difluoro-N-[2-[2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]cyclobutane-1-carboxamide

C18H24F2N2O3 — CID 131650386

IUPAC3,3-difluoro-N-[2-[2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]cyclobutane-1-carboxamide
SMILESO=C(NCCC1CCOC12CN(Cc1ccco1)C2)C1CC(F)(F)C1
InChIInChI=1S/C18H24F2N2O3/c19-18(20)8-13(9-18)16(23)21-5-3-14-4-7-25-17(14)11-22(12-17)10-15-2-1-6-24-15/h1-2,6,13-14H,3-5,7-12H2,(H,21,23)
InChIKeyQEKMXNRTFFUIMQ-UHFFFAOYSA-N
MW354.40 g/mol
LogP2.42
Rot. Bonds6

About 3,3-difluoro-N-[2-[2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]cyclobutane-1-carboxamide

3,3-difluoro-N-[2-[2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]cyclobutane-1-carboxamide (PubChem CID 131650386) has the molecular formula C18H24F2N2O3 and a molecular weight of 354.40 g/mol. Its IUPAC name is 3,3-difluoro-N-[2-[2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-[2-[2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]cyclobutane-1-carboxamide
PubChem CID131650386
Molecular FormulaC18H24F2N2O3
Molecular Weight354.40 g/mol
Exact Mass354.18
IUPAC Name3,3-difluoro-N-[2-[2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]cyclobutane-1-carboxamide
SMILESO=C(NCCC1CCOC12CN(Cc1ccco1)C2)C1CC(F)(F)C1
InChIInChI=1S/C18H24F2N2O3/c19-18(20)8-13(9-18)16(23)21-5-3-14-4-7-25-17(14)11-22(12-17)10-15-2-1-6-24-15/h1-2,6,13-14H,3-5,7-12H2,(H,21,23)
InChIKeyQEKMXNRTFFUIMQ-UHFFFAOYSA-N
XLogP2.42
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide
CID 133140449
N-[2-[2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]benzenesulfonamide
CID 131677257
N-[2-[(8R)-2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-5-methylpyrimidin-2-amine
CID 124912928
8-[2-(cyclopropylmethoxy)ethyl]-2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 155862381
1-acetyl-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide
CID 110745476
1-methyl-N-[2-[2-[(5-methylfuran-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]imidazole-2-carboxamide
CID 133137339
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 91775679
N-[2-(furan-2-yl)ethyl]cyclopentanecarboxamide
CID 110733508
N-[2-[(4-chlorophenyl)methoxy]ethyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 72871524
N-[2-[2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-1,2-oxazole-5-carboxamide
CID 133137467
1-(furan-2-ylmethyl)-N-[2-(methylsulfamoyl)ethyl]piperidine-3-carboxamide
CID 46991870
N-[(1,1-dioxothiolan-3-yl)methyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 72887195

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-[2-[2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-[2-[2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]cyclobutane-1-carboxamide (CID 131650386) is 3,3-difluoro-N-[2-[2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-[2-[2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-[2-[2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]cyclobutane-1-carboxamide is O=C(NCCC1CCOC12CN(Cc1ccco1)C2)C1CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-[2-[2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]cyclobutane-1-carboxamide?
The InChIKey is QEKMXNRTFFUIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N2O3/c19-18(20)8-13(9-18)16(23)21-5-3-14-4-7-25-17(14)11-22(12-17)10-15-2-1-6-24-15/h1-2,6,13-14H,3-5,7-12H2,(H,21,23).
What are the key properties of 3,3-difluoro-N-[2-[2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]cyclobutane-1-carboxamide?
3,3-difluoro-N-[2-[2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]cyclobutane-1-carboxamide has a molecular weight of 354.40 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-[2-[2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 131650386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).