2-[(2-methoxy-4-phenylmethoxyphenyl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one

C22H26N2O4 — CID 138387630

IUPAC2-[(2-methoxy-4-phenylmethoxyphenyl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
SMILESCOc1cc(OCc2ccccc2)ccc1CN1CCC2(CNC(=O)CO2)C1
InChIInChI=1S/C22H26N2O4/c1-26-20-11-19(27-13-17-5-3-2-4-6-17)8-7-18(20)12-24-10-9-22(16-24)15-23-21(25)14-28-22/h2-8,11H,9-10,12-16H2,1H3,(H,23,25)
InChIKeyPMYKIIYOXYPHNF-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.37
Rot. Bonds6

About 2-[(2-methoxy-4-phenylmethoxyphenyl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one

2-[(2-methoxy-4-phenylmethoxyphenyl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one (PubChem CID 138387630) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-[(2-methoxy-4-phenylmethoxyphenyl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name2-[(2-methoxy-4-phenylmethoxyphenyl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
PubChem CID138387630
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name2-[(2-methoxy-4-phenylmethoxyphenyl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
SMILESCOc1cc(OCc2ccccc2)ccc1CN1CCC2(CNC(=O)CO2)C1
InChIInChI=1S/C22H26N2O4/c1-26-20-11-19(27-13-17-5-3-2-4-6-17)8-7-18(20)12-24-10-9-22(16-24)15-23-21(25)14-28-22/h2-8,11H,9-10,12-16H2,1H3,(H,23,25)
InChIKeyPMYKIIYOXYPHNF-UHFFFAOYSA-N
XLogP2.37
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 138806837
2-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 138387872
9-[(3-phenoxyphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162628118
9-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162630357
1-ethyl-2-methoxy-4-phenylmethoxybenzene
CID 130330824
[1-[(2-methoxy-4-phenylmethoxyphenyl)methyl]azetidin-3-yl]methanediol
CID 91478879
9-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;bis(2,2,2-trifluoroacetic acid)
CID 155830849
3-[1-[(2-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1,2,4-oxadiazole
CID 77087033
2-[(3-propan-2-ylimidazol-4-yl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 138382560
9-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 163308018
(2R)-4-[(2,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine
CID 67352745
(5S)-9-phenyl-2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 125021048

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-4-phenylmethoxyphenyl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The IUPAC name of 2-[(2-methoxy-4-phenylmethoxyphenyl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one (CID 138387630) is 2-[(2-methoxy-4-phenylmethoxyphenyl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one.
What is the SMILES notation for 2-[(2-methoxy-4-phenylmethoxyphenyl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The canonical SMILES for 2-[(2-methoxy-4-phenylmethoxyphenyl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one is COc1cc(OCc2ccccc2)ccc1CN1CCC2(CNC(=O)CO2)C1.
What is the InChIKey of 2-[(2-methoxy-4-phenylmethoxyphenyl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The InChIKey is PMYKIIYOXYPHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-26-20-11-19(27-13-17-5-3-2-4-6-17)8-7-18(20)12-24-10-9-22(16-24)15-23-21(25)14-28-22/h2-8,11H,9-10,12-16H2,1H3,(H,23,25).
What are the key properties of 2-[(2-methoxy-4-phenylmethoxyphenyl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
2-[(2-methoxy-4-phenylmethoxyphenyl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one has a molecular weight of 382.46 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-4-phenylmethoxyphenyl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one is sourced from PubChem (CID 138387630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).