4-(4-fluorophenyl)-N-(1-oxaspiro[4.5]decan-3-yl)-4-oxobutanamide

C19H24FNO3 — CID 91841544

IUPAC4-(4-fluorophenyl)-N-(1-oxaspiro[4.5]decan-3-yl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(F)cc1)NC1COC2(CCCCC2)C1
InChIInChI=1S/C19H24FNO3/c20-15-6-4-14(5-7-15)17(22)8-9-18(23)21-16-12-19(24-13-16)10-2-1-3-11-19/h4-7,16H,1-3,8-13H2,(H,21,23)
InChIKeyLFQPDKDRQKDBKD-UHFFFAOYSA-N
MW333.40 g/mol
LogP3.40
Rot. Bonds5

About 4-(4-fluorophenyl)-N-(1-oxaspiro[4.5]decan-3-yl)-4-oxobutanamide

4-(4-fluorophenyl)-N-(1-oxaspiro[4.5]decan-3-yl)-4-oxobutanamide (PubChem CID 91841544) has the molecular formula C19H24FNO3 and a molecular weight of 333.40 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-(1-oxaspiro[4.5]decan-3-yl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(1-oxaspiro[4.5]decan-3-yl)-4-oxobutanamide
PubChem CID91841544
Molecular FormulaC19H24FNO3
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC Name4-(4-fluorophenyl)-N-(1-oxaspiro[4.5]decan-3-yl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(F)cc1)NC1COC2(CCCCC2)C1
InChIInChI=1S/C19H24FNO3/c20-15-6-4-14(5-7-15)17(22)8-9-18(23)21-16-12-19(24-13-16)10-2-1-3-11-19/h4-7,16H,1-3,8-13H2,(H,21,23)
InChIKeyLFQPDKDRQKDBKD-UHFFFAOYSA-N
XLogP3.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-(1-oxaspiro[4.5]decan-3-yl)-4-oxobutanamide?
The IUPAC name of 4-(4-fluorophenyl)-N-(1-oxaspiro[4.5]decan-3-yl)-4-oxobutanamide (CID 91841544) is 4-(4-fluorophenyl)-N-(1-oxaspiro[4.5]decan-3-yl)-4-oxobutanamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(1-oxaspiro[4.5]decan-3-yl)-4-oxobutanamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-(1-oxaspiro[4.5]decan-3-yl)-4-oxobutanamide is O=C(CCC(=O)c1ccc(F)cc1)NC1COC2(CCCCC2)C1.
What is the InChIKey of 4-(4-fluorophenyl)-N-(1-oxaspiro[4.5]decan-3-yl)-4-oxobutanamide?
The InChIKey is LFQPDKDRQKDBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO3/c20-15-6-4-14(5-7-15)17(22)8-9-18(23)21-16-12-19(24-13-16)10-2-1-3-11-19/h4-7,16H,1-3,8-13H2,(H,21,23).
What are the key properties of 4-(4-fluorophenyl)-N-(1-oxaspiro[4.5]decan-3-yl)-4-oxobutanamide?
4-(4-fluorophenyl)-N-(1-oxaspiro[4.5]decan-3-yl)-4-oxobutanamide has a molecular weight of 333.40 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-(1-oxaspiro[4.5]decan-3-yl)-4-oxobutanamide is sourced from PubChem (CID 91841544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).