3-[(4-ethoxyphenyl)methyl]-4-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C24H29FN2O3 — CID 22386752

IUPAC3-[(4-ethoxyphenyl)methyl]-4-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCOc1ccc(CN2C(=O)OC3(CCN(C)CC3)C2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C24H29FN2O3/c1-3-29-21-10-6-19(7-11-21)17-27-22(16-18-4-8-20(25)9-5-18)24(30-23(27)28)12-14-26(2)15-13-24/h4-11,22H,3,12-17H2,1-2H3
InChIKeyPBLGGRLPIOFLNE-UHFFFAOYSA-N
MW412.51 g/mol
LogP4.25
Rot. Bonds6

About 3-[(4-ethoxyphenyl)methyl]-4-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-[(4-ethoxyphenyl)methyl]-4-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 22386752) has the molecular formula C24H29FN2O3 and a molecular weight of 412.51 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)methyl]-4-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)methyl]-4-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID22386752
Molecular FormulaC24H29FN2O3
Molecular Weight412.51 g/mol
Exact Mass412.22
IUPAC Name3-[(4-ethoxyphenyl)methyl]-4-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCOc1ccc(CN2C(=O)OC3(CCN(C)CC3)C2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C24H29FN2O3/c1-3-29-21-10-6-19(7-11-21)17-27-22(16-18-4-8-20(25)9-5-18)24(30-23(27)28)12-14-26(2)15-13-24/h4-11,22H,3,12-17H2,1-2H3
InChIKeyPBLGGRLPIOFLNE-UHFFFAOYSA-N
XLogP4.25
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)methyl]-4-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[(4-ethoxyphenyl)methyl]-4-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 22386752) is 3-[(4-ethoxyphenyl)methyl]-4-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[(4-ethoxyphenyl)methyl]-4-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[(4-ethoxyphenyl)methyl]-4-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCOc1ccc(CN2C(=O)OC3(CCN(C)CC3)C2Cc2ccc(F)cc2)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)methyl]-4-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is PBLGGRLPIOFLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O3/c1-3-29-21-10-6-19(7-11-21)17-27-22(16-18-4-8-20(25)9-5-18)24(30-23(27)28)12-14-26(2)15-13-24/h4-11,22H,3,12-17H2,1-2H3.
What are the key properties of 3-[(4-ethoxyphenyl)methyl]-4-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-[(4-ethoxyphenyl)methyl]-4-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 412.51 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)methyl]-4-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 22386752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).