N-(1-ethyl-2-oxo-1-azaspiro[4.5]decan-8-yl)-3,3-difluorocyclobutane-1-carboxamide

C16H24F2N2O2 — CID 131690311

IUPACN-(1-ethyl-2-oxo-1-azaspiro[4.5]decan-8-yl)-3,3-difluorocyclobutane-1-carboxamide
SMILESCCN1C(=O)CCC12CCC(NC(=O)C1CC(F)(F)C1)CC2
InChIInChI=1S/C16H24F2N2O2/c1-2-20-13(21)5-8-15(20)6-3-12(4-7-15)19-14(22)11-9-16(17,18)10-11/h11-12H,2-10H2,1H3,(H,19,22)
InChIKeyTYSCCIASGIHJRR-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.47
Rot. Bonds3

About N-(1-ethyl-2-oxo-1-azaspiro[4.5]decan-8-yl)-3,3-difluorocyclobutane-1-carboxamide

N-(1-ethyl-2-oxo-1-azaspiro[4.5]decan-8-yl)-3,3-difluorocyclobutane-1-carboxamide (PubChem CID 131690311) has the molecular formula C16H24F2N2O2 and a molecular weight of 314.38 g/mol. Its IUPAC name is N-(1-ethyl-2-oxo-1-azaspiro[4.5]decan-8-yl)-3,3-difluorocyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-2-oxo-1-azaspiro[4.5]decan-8-yl)-3,3-difluorocyclobutane-1-carboxamide
PubChem CID131690311
Molecular FormulaC16H24F2N2O2
Molecular Weight314.38 g/mol
Exact Mass314.18
IUPAC NameN-(1-ethyl-2-oxo-1-azaspiro[4.5]decan-8-yl)-3,3-difluorocyclobutane-1-carboxamide
SMILESCCN1C(=O)CCC12CCC(NC(=O)C1CC(F)(F)C1)CC2
InChIInChI=1S/C16H24F2N2O2/c1-2-20-13(21)5-8-15(20)6-3-12(4-7-15)19-14(22)11-9-16(17,18)10-11/h11-12H,2-10H2,1H3,(H,19,22)
InChIKeyTYSCCIASGIHJRR-UHFFFAOYSA-N
XLogP2.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[(2S,3S)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-4-oxobutan-2-yl]cyclohexyl]-N-methylacetamide
CID 11717178
N-[4-[(2S)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-4-oxobutan-2-yl]cyclohexyl]-N-methylacetamide
CID 70329425
(2S)-N-[(1S)-1-cyclohexyl-2-[(2R)-4,4-difluoro-2-methylpyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide
CID 70943053
N-[4-[(2S)-2-amino-3-(3,3-difluoropyrrolidin-1-yl)-3-oxopropyl]cyclohexyl]-N-methylacetamide
CID 143146331
[(3R,4S)-3-(tert-butylamino)-4-fluoropyrrolidin-1-yl]-(4,4-difluorocyclohexyl)methanone
CID 155261578
N-propan-2-yl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]cyclohexane-1-carboxamide
CID 71921435
cis-(1R,3S)-N-propan-2-yl-3-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]cyclohexane-1-carboxamide
CID 97055524
trans-(1R,3R)-N-propan-2-yl-3-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]cyclohexane-1-carboxamide
CID 97055526
4,4-difluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)cyclohexane-1-carboxamide
CID 106611037
N-butyl-4,4-difluoro-N-(pyrrolidin-2-ylmethyl)cyclohexane-1-carboxamide
CID 106611938
(3,3-Difluoropyrrolidin-1-yl)-[4-(methylamino)cyclohexyl]methanone
CID 116991701
(3-Aminocyclohexyl)-[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]methanone
CID 119896758

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-2-oxo-1-azaspiro[4.5]decan-8-yl)-3,3-difluorocyclobutane-1-carboxamide?
The IUPAC name of N-(1-ethyl-2-oxo-1-azaspiro[4.5]decan-8-yl)-3,3-difluorocyclobutane-1-carboxamide (CID 131690311) is N-(1-ethyl-2-oxo-1-azaspiro[4.5]decan-8-yl)-3,3-difluorocyclobutane-1-carboxamide.
What is the SMILES notation for N-(1-ethyl-2-oxo-1-azaspiro[4.5]decan-8-yl)-3,3-difluorocyclobutane-1-carboxamide?
The canonical SMILES for N-(1-ethyl-2-oxo-1-azaspiro[4.5]decan-8-yl)-3,3-difluorocyclobutane-1-carboxamide is CCN1C(=O)CCC12CCC(NC(=O)C1CC(F)(F)C1)CC2.
What is the InChIKey of N-(1-ethyl-2-oxo-1-azaspiro[4.5]decan-8-yl)-3,3-difluorocyclobutane-1-carboxamide?
The InChIKey is TYSCCIASGIHJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O2/c1-2-20-13(21)5-8-15(20)6-3-12(4-7-15)19-14(22)11-9-16(17,18)10-11/h11-12H,2-10H2,1H3,(H,19,22).
What are the key properties of N-(1-ethyl-2-oxo-1-azaspiro[4.5]decan-8-yl)-3,3-difluorocyclobutane-1-carboxamide?
N-(1-ethyl-2-oxo-1-azaspiro[4.5]decan-8-yl)-3,3-difluorocyclobutane-1-carboxamide has a molecular weight of 314.38 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-2-oxo-1-azaspiro[4.5]decan-8-yl)-3,3-difluorocyclobutane-1-carboxamide is sourced from PubChem (CID 131690311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).