N-[(4-fluorophenyl)methyl]-8-methyl-N-[[4-(2-methylpropoxy)phenyl]methyl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-amine

C26H34FN3O2 — CID 175679936

IUPACN-[(4-fluorophenyl)methyl]-8-methyl-N-[[4-(2-methylpropoxy)phenyl]methyl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-amine
SMILESCC(C)COc1ccc(CN(Cc2ccc(F)cc2)C2=NC3(CCN(C)CC3)CO2)cc1
InChIInChI=1S/C26H34FN3O2/c1-20(2)18-31-24-10-6-22(7-11-24)17-30(16-21-4-8-23(27)9-5-21)25-28-26(19-32-25)12-14-29(3)15-13-26/h4-11,20H,12-19H2,1-3H3
InChIKeyBPFWETGJUAWGRZ-UHFFFAOYSA-N
MW439.58 g/mol
LogP4.71
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-8-methyl-N-[[4-(2-methylpropoxy)phenyl]methyl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-amine

N-[(4-fluorophenyl)methyl]-8-methyl-N-[[4-(2-methylpropoxy)phenyl]methyl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-amine (PubChem CID 175679936) has the molecular formula C26H34FN3O2 and a molecular weight of 439.58 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-8-methyl-N-[[4-(2-methylpropoxy)phenyl]methyl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-8-methyl-N-[[4-(2-methylpropoxy)phenyl]methyl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-amine
PubChem CID175679936
Molecular FormulaC26H34FN3O2
Molecular Weight439.58 g/mol
Exact Mass439.26
IUPAC NameN-[(4-fluorophenyl)methyl]-8-methyl-N-[[4-(2-methylpropoxy)phenyl]methyl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-amine
SMILESCC(C)COc1ccc(CN(Cc2ccc(F)cc2)C2=NC3(CCN(C)CC3)CO2)cc1
InChIInChI=1S/C26H34FN3O2/c1-20(2)18-31-24-10-6-22(7-11-24)17-30(16-21-4-8-23(27)9-5-21)25-28-26(19-32-25)12-14-29(3)15-13-26/h4-11,20H,12-19H2,1-3H3
InChIKeyBPFWETGJUAWGRZ-UHFFFAOYSA-N
XLogP4.71
TPSA37.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-8-methyl-N-[[4-(2-methylpropoxy)phenyl]methyl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-8-methyl-N-[[4-(2-methylpropoxy)phenyl]methyl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-amine (CID 175679936) is N-[(4-fluorophenyl)methyl]-8-methyl-N-[[4-(2-methylpropoxy)phenyl]methyl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-8-methyl-N-[[4-(2-methylpropoxy)phenyl]methyl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-8-methyl-N-[[4-(2-methylpropoxy)phenyl]methyl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-amine is CC(C)COc1ccc(CN(Cc2ccc(F)cc2)C2=NC3(CCN(C)CC3)CO2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-8-methyl-N-[[4-(2-methylpropoxy)phenyl]methyl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-amine?
The InChIKey is BPFWETGJUAWGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34FN3O2/c1-20(2)18-31-24-10-6-22(7-11-24)17-30(16-21-4-8-23(27)9-5-21)25-28-26(19-32-25)12-14-29(3)15-13-26/h4-11,20H,12-19H2,1-3H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-8-methyl-N-[[4-(2-methylpropoxy)phenyl]methyl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-amine?
N-[(4-fluorophenyl)methyl]-8-methyl-N-[[4-(2-methylpropoxy)phenyl]methyl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-amine has a molecular weight of 439.58 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-8-methyl-N-[[4-(2-methylpropoxy)phenyl]methyl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-amine is sourced from PubChem (CID 175679936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).