10-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one

C20H29FN2O3 — CID 131678902

IUPAC10-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
SMILESCOc1ccc(CN2CCOCC3(CC(=O)N(CC(C)C)C3)C2)c(F)c1
InChIInChI=1S/C20H29FN2O3/c1-15(2)10-23-13-20(9-19(23)24)12-22(6-7-26-14-20)11-16-4-5-17(25-3)8-18(16)21/h4-5,8,15H,6-7,9-14H2,1-3H3
InChIKeyQBJIYWULCLBKTB-UHFFFAOYSA-N
MW364.46 g/mol
LogP2.54
Rot. Bonds5

About 10-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one

10-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one (PubChem CID 131678902) has the molecular formula C20H29FN2O3 and a molecular weight of 364.46 g/mol. Its IUPAC name is 10-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one.

Molecular Properties

Compound Name10-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
PubChem CID131678902
Molecular FormulaC20H29FN2O3
Molecular Weight364.46 g/mol
Exact Mass364.22
IUPAC Name10-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
SMILESCOc1ccc(CN2CCOCC3(CC(=O)N(CC(C)C)C3)C2)c(F)c1
InChIInChI=1S/C20H29FN2O3/c1-15(2)10-23-13-20(9-19(23)24)12-22(6-7-26-14-20)11-16-4-5-17(25-3)8-18(16)21/h4-5,8,15H,6-7,9-14H2,1-3H3
InChIKeyQBJIYWULCLBKTB-UHFFFAOYSA-N
XLogP2.54
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
CID 131681594
10-benzyl-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
CID 131679011
2-(2-methylpropyl)-10-[[3-(trifluoromethyl)phenyl]methyl]-7-oxa-2,10-diazaspiro[4.6]undecan-3-one;2,2,2-trifluoroacetic acid
CID 155868091
4-[(2-ethyl-4-methoxyphenyl)methyl]-6,6-difluoro-1,4-oxazepane
CID 126813428
9-[(2-fluoro-4-methoxyphenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane
CID 102876803
10-[(3-fluorophenyl)methyl]-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
CID 131681265
3-amino-1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107324895
10-[(2-methylphenyl)methyl]-2-propan-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
CID 131678761
1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylazetidin-3-amine
CID 102879115
[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 114082076
4-[(2-fluoro-4-methoxyphenyl)methyl]morpholine-2-carbonitrile
CID 102876748
3-ethyl-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 102877482

Frequently Asked Questions

What is the IUPAC name of 10-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one?
The IUPAC name of 10-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one (CID 131678902) is 10-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one.
What is the SMILES notation for 10-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one?
The canonical SMILES for 10-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one is COc1ccc(CN2CCOCC3(CC(=O)N(CC(C)C)C3)C2)c(F)c1.
What is the InChIKey of 10-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one?
The InChIKey is QBJIYWULCLBKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O3/c1-15(2)10-23-13-20(9-19(23)24)12-22(6-7-26-14-20)11-16-4-5-17(25-3)8-18(16)21/h4-5,8,15H,6-7,9-14H2,1-3H3.
What are the key properties of 10-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one?
10-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one has a molecular weight of 364.46 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one is sourced from PubChem (CID 131678902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).