N-[[8-[(2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3-methylbutanamide

C21H31FN2O2 — CID 45167881

IUPACN-[[8-[(2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCC1CCC2(CCN(Cc3ccccc3F)CC2)O1
InChIInChI=1S/C21H31FN2O2/c1-16(2)13-20(25)23-14-18-7-8-21(26-18)9-11-24(12-10-21)15-17-5-3-4-6-19(17)22/h3-6,16,18H,7-15H2,1-2H3,(H,23,25)
InChIKeyJZODXGDSLPGDDG-UHFFFAOYSA-N
MW362.49 g/mol
LogP3.50
Rot. Bonds6

About N-[[8-[(2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3-methylbutanamide

N-[[8-[(2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3-methylbutanamide (PubChem CID 45167881) has the molecular formula C21H31FN2O2 and a molecular weight of 362.49 g/mol. Its IUPAC name is N-[[8-[(2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[[8-[(2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3-methylbutanamide
PubChem CID45167881
Molecular FormulaC21H31FN2O2
Molecular Weight362.49 g/mol
Exact Mass362.24
IUPAC NameN-[[8-[(2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCC1CCC2(CCN(Cc3ccccc3F)CC2)O1
InChIInChI=1S/C21H31FN2O2/c1-16(2)13-20(25)23-14-18-7-8-21(26-18)9-11-24(12-10-21)15-17-5-3-4-6-19(17)22/h3-6,16,18H,7-15H2,1-2H3,(H,23,25)
InChIKeyJZODXGDSLPGDDG-UHFFFAOYSA-N
XLogP3.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.49
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[8-[(2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3-methylbutanamide?
The IUPAC name of N-[[8-[(2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3-methylbutanamide (CID 45167881) is N-[[8-[(2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3-methylbutanamide.
What is the SMILES notation for N-[[8-[(2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3-methylbutanamide?
The canonical SMILES for N-[[8-[(2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3-methylbutanamide is CC(C)CC(=O)NCC1CCC2(CCN(Cc3ccccc3F)CC2)O1.
What is the InChIKey of N-[[8-[(2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3-methylbutanamide?
The InChIKey is JZODXGDSLPGDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31FN2O2/c1-16(2)13-20(25)23-14-18-7-8-21(26-18)9-11-24(12-10-21)15-17-5-3-4-6-19(17)22/h3-6,16,18H,7-15H2,1-2H3,(H,23,25).
What are the key properties of N-[[8-[(2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3-methylbutanamide?
N-[[8-[(2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3-methylbutanamide has a molecular weight of 362.49 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-[(2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3-methylbutanamide is sourced from PubChem (CID 45167881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).