[3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] N-ethylcarbamate

C25H28FN3O4 — CID 58436508

IUPAC[3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] N-ethylcarbamate
SMILESCCNC(=O)OC1=C(c2cc(-c3ccc(F)cc3)ccc2C)C(=O)NC12CCN(OC)CC2
InChIInChI=1S/C25H28FN3O4/c1-4-27-24(31)33-22-21(23(30)28-25(22)11-13-29(32-3)14-12-25)20-15-18(6-5-16(20)2)17-7-9-19(26)10-8-17/h5-10,15H,4,11-14H2,1-3H3,(H,27,31)(H,28,30)
InChIKeyYLGSJHHUYAYDGB-UHFFFAOYSA-N
MW453.51 g/mol
LogP3.78
Rot. Bonds5

About [3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] N-ethylcarbamate

[3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] N-ethylcarbamate (PubChem CID 58436508) has the molecular formula C25H28FN3O4 and a molecular weight of 453.51 g/mol. Its IUPAC name is [3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] N-ethylcarbamate.

Molecular Properties

Compound Name[3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] N-ethylcarbamate
PubChem CID58436508
Molecular FormulaC25H28FN3O4
Molecular Weight453.51 g/mol
Exact Mass453.21
IUPAC Name[3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] N-ethylcarbamate
SMILESCCNC(=O)OC1=C(c2cc(-c3ccc(F)cc3)ccc2C)C(=O)NC12CCN(OC)CC2
InChIInChI=1S/C25H28FN3O4/c1-4-27-24(31)33-22-21(23(30)28-25(22)11-13-29(32-3)14-12-25)20-15-18(6-5-16(20)2)17-7-9-19(26)10-8-17/h5-10,15H,4,11-14H2,1-3H3,(H,27,31)(H,28,30)
InChIKeyYLGSJHHUYAYDGB-UHFFFAOYSA-N
XLogP3.78
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.51
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] N-ethylcarbamate?
The IUPAC name of [3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] N-ethylcarbamate (CID 58436508) is [3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] N-ethylcarbamate.
What is the SMILES notation for [3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] N-ethylcarbamate?
The canonical SMILES for [3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] N-ethylcarbamate is CCNC(=O)OC1=C(c2cc(-c3ccc(F)cc3)ccc2C)C(=O)NC12CCN(OC)CC2.
What is the InChIKey of [3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] N-ethylcarbamate?
The InChIKey is YLGSJHHUYAYDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O4/c1-4-27-24(31)33-22-21(23(30)28-25(22)11-13-29(32-3)14-12-25)20-15-18(6-5-16(20)2)17-7-9-19(26)10-8-17/h5-10,15H,4,11-14H2,1-3H3,(H,27,31)(H,28,30).
What are the key properties of [3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] N-ethylcarbamate?
[3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] N-ethylcarbamate has a molecular weight of 453.51 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] N-ethylcarbamate is sourced from PubChem (CID 58436508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).