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

C23H25FN2O4 — CID 66902067

IUPAC3-[(2-fluorophenyl)methyl]-8-(2-phenylmethoxyacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C(COCc1ccccc1)N1CCC2(CC1)CN(Cc1ccccc1F)C(=O)O2
InChIInChI=1S/C23H25FN2O4/c24-20-9-5-4-8-19(20)14-26-17-23(30-22(26)28)10-12-25(13-11-23)21(27)16-29-15-18-6-2-1-3-7-18/h1-9H,10-17H2
InChIKeyCNBYVFYIWYRMSO-UHFFFAOYSA-N
MW412.46 g/mol
LogP3.36
Rot. Bonds6

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

3-[(2-fluorophenyl)methyl]-8-(2-phenylmethoxyacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 66902067) has the molecular formula C23H25FN2O4 and a molecular weight of 412.46 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]-8-(2-phenylmethoxyacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]-8-(2-phenylmethoxyacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID66902067
Molecular FormulaC23H25FN2O4
Molecular Weight412.46 g/mol
Exact Mass412.18
IUPAC Name3-[(2-fluorophenyl)methyl]-8-(2-phenylmethoxyacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C(COCc1ccccc1)N1CCC2(CC1)CN(Cc1ccccc1F)C(=O)O2
InChIInChI=1S/C23H25FN2O4/c24-20-9-5-4-8-19(20)14-26-17-23(30-22(26)28)10-12-25(13-11-23)21(27)16-29-15-18-6-2-1-3-7-18/h1-9H,10-17H2
InChIKeyCNBYVFYIWYRMSO-UHFFFAOYSA-N
XLogP3.36
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl]-8-(2-phenylmethoxyacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[(2-fluorophenyl)methyl]-8-(2-phenylmethoxyacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 66902067) is 3-[(2-fluorophenyl)methyl]-8-(2-phenylmethoxyacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]-8-(2-phenylmethoxyacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]-8-(2-phenylmethoxyacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is O=C(COCc1ccccc1)N1CCC2(CC1)CN(Cc1ccccc1F)C(=O)O2.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]-8-(2-phenylmethoxyacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is CNBYVFYIWYRMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O4/c24-20-9-5-4-8-19(20)14-26-17-23(30-22(26)28)10-12-25(13-11-23)21(27)16-29-15-18-6-2-1-3-7-18/h1-9H,10-17H2.
What are the key properties of 3-[(2-fluorophenyl)methyl]-8-(2-phenylmethoxyacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-[(2-fluorophenyl)methyl]-8-(2-phenylmethoxyacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 412.46 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl]-8-(2-phenylmethoxyacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 66902067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).