N-[[8-[(2,3-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide

C18H24F2N2O2 — CID 45202459

IUPACN-[[8-[(2,3-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
SMILESCC(=O)NCC1CCC2(CCN(Cc3cccc(F)c3F)CC2)O1
InChIInChI=1S/C18H24F2N2O2/c1-13(23)21-11-15-5-6-18(24-15)7-9-22(10-8-18)12-14-3-2-4-16(19)17(14)20/h2-4,15H,5-12H2,1H3,(H,21,23)
InChIKeyCEKLHKGHZQFBPT-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.61
Rot. Bonds4

About N-[[8-[(2,3-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide

N-[[8-[(2,3-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide (PubChem CID 45202459) has the molecular formula C18H24F2N2O2 and a molecular weight of 338.40 g/mol. Its IUPAC name is N-[[8-[(2,3-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[8-[(2,3-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
PubChem CID45202459
Molecular FormulaC18H24F2N2O2
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC NameN-[[8-[(2,3-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
SMILESCC(=O)NCC1CCC2(CCN(Cc3cccc(F)c3F)CC2)O1
InChIInChI=1S/C18H24F2N2O2/c1-13(23)21-11-15-5-6-18(24-15)7-9-22(10-8-18)12-14-3-2-4-16(19)17(14)20/h2-4,15H,5-12H2,1H3,(H,21,23)
InChIKeyCEKLHKGHZQFBPT-UHFFFAOYSA-N
XLogP2.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[8-[(2,3-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?
The IUPAC name of N-[[8-[(2,3-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide (CID 45202459) is N-[[8-[(2,3-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[8-[(2,3-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?
The canonical SMILES for N-[[8-[(2,3-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide is CC(=O)NCC1CCC2(CCN(Cc3cccc(F)c3F)CC2)O1.
What is the InChIKey of N-[[8-[(2,3-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?
The InChIKey is CEKLHKGHZQFBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N2O2/c1-13(23)21-11-15-5-6-18(24-15)7-9-22(10-8-18)12-14-3-2-4-16(19)17(14)20/h2-4,15H,5-12H2,1H3,(H,21,23).
What are the key properties of N-[[8-[(2,3-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?
N-[[8-[(2,3-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide has a molecular weight of 338.40 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-[(2,3-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide is sourced from PubChem (CID 45202459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).