8-benzyl-N-(2-fluorophenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

C23H23FN2O3 — CID 20906648

IUPAC8-benzyl-N-(2-fluorophenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2F)C2(CCN(Cc3ccccc3)CC2)OC1=O
InChIInChI=1S/C23H23FN2O3/c1-16-20(21(27)25-19-10-6-5-9-18(19)24)23(29-22(16)28)11-13-26(14-12-23)15-17-7-3-2-4-8-17/h2-10H,11-15H2,1H3,(H,25,27)
InChIKeyZPWXIVMLJLJWOP-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.67
Rot. Bonds4

About 8-benzyl-N-(2-fluorophenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

8-benzyl-N-(2-fluorophenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (PubChem CID 20906648) has the molecular formula C23H23FN2O3 and a molecular weight of 394.45 g/mol. Its IUPAC name is 8-benzyl-N-(2-fluorophenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide.

Molecular Properties

Compound Name8-benzyl-N-(2-fluorophenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
PubChem CID20906648
Molecular FormulaC23H23FN2O3
Molecular Weight394.45 g/mol
Exact Mass394.17
IUPAC Name8-benzyl-N-(2-fluorophenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2F)C2(CCN(Cc3ccccc3)CC2)OC1=O
InChIInChI=1S/C23H23FN2O3/c1-16-20(21(27)25-19-10-6-5-9-18(19)24)23(29-22(16)28)11-13-26(14-12-23)15-17-7-3-2-4-8-17/h2-10H,11-15H2,1H3,(H,25,27)
InChIKeyZPWXIVMLJLJWOP-UHFFFAOYSA-N
XLogP3.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-benzyl-N-(2-fluorophenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The IUPAC name of 8-benzyl-N-(2-fluorophenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (CID 20906648) is 8-benzyl-N-(2-fluorophenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide.
What is the SMILES notation for 8-benzyl-N-(2-fluorophenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The canonical SMILES for 8-benzyl-N-(2-fluorophenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide is CC1=C(C(=O)Nc2ccccc2F)C2(CCN(Cc3ccccc3)CC2)OC1=O.
What is the InChIKey of 8-benzyl-N-(2-fluorophenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
The InChIKey is ZPWXIVMLJLJWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3/c1-16-20(21(27)25-19-10-6-5-9-18(19)24)23(29-22(16)28)11-13-26(14-12-23)15-17-7-3-2-4-8-17/h2-10H,11-15H2,1H3,(H,25,27).
What are the key properties of 8-benzyl-N-(2-fluorophenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?
8-benzyl-N-(2-fluorophenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-N-(2-fluorophenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide is sourced from PubChem (CID 20906648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).