N-[[8-[(2,6-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methylpropanamide

C20H28F2N2O2 — CID 45179422

IUPACN-[[8-[(2,6-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC1CCC2(CCN(Cc3c(F)cccc3F)CC2)O1
InChIInChI=1S/C20H28F2N2O2/c1-14(2)19(25)23-12-15-6-7-20(26-15)8-10-24(11-9-20)13-16-17(21)4-3-5-18(16)22/h3-5,14-15H,6-13H2,1-2H3,(H,23,25)
InChIKeyRKNSEMWDFVSNDO-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.25
Rot. Bonds5

About N-[[8-[(2,6-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methylpropanamide

N-[[8-[(2,6-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methylpropanamide (PubChem CID 45179422) has the molecular formula C20H28F2N2O2 and a molecular weight of 366.45 g/mol. Its IUPAC name is N-[[8-[(2,6-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[8-[(2,6-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methylpropanamide
PubChem CID45179422
Molecular FormulaC20H28F2N2O2
Molecular Weight366.45 g/mol
Exact Mass366.21
IUPAC NameN-[[8-[(2,6-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC1CCC2(CCN(Cc3c(F)cccc3F)CC2)O1
InChIInChI=1S/C20H28F2N2O2/c1-14(2)19(25)23-12-15-6-7-20(26-15)8-10-24(11-9-20)13-16-17(21)4-3-5-18(16)22/h3-5,14-15H,6-13H2,1-2H3,(H,23,25)
InChIKeyRKNSEMWDFVSNDO-UHFFFAOYSA-N
XLogP3.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[8-[(2,6-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[8-[(2,6-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methylpropanamide (CID 45179422) is N-[[8-[(2,6-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[8-[(2,6-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[8-[(2,6-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methylpropanamide is CC(C)C(=O)NCC1CCC2(CCN(Cc3c(F)cccc3F)CC2)O1.
What is the InChIKey of N-[[8-[(2,6-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methylpropanamide?
The InChIKey is RKNSEMWDFVSNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F2N2O2/c1-14(2)19(25)23-12-15-6-7-20(26-15)8-10-24(11-9-20)13-16-17(21)4-3-5-18(16)22/h3-5,14-15H,6-13H2,1-2H3,(H,23,25).
What are the key properties of N-[[8-[(2,6-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methylpropanamide?
N-[[8-[(2,6-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methylpropanamide has a molecular weight of 366.45 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-[(2,6-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 45179422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).