N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-[(4-fluorophenyl)methyl]oxamide

C18H23FN2O4 — CID 18583846

IUPACN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-[(4-fluorophenyl)methyl]oxamide
SMILESO=C(NCc1ccc(F)cc1)C(=O)NCC1COC2(CCCCC2)O1
InChIInChI=1S/C18H23FN2O4/c19-14-6-4-13(5-7-14)10-20-16(22)17(23)21-11-15-12-24-18(25-15)8-2-1-3-9-18/h4-7,15H,1-3,8-12H2,(H,20,22)(H,21,23)
InChIKeyORXLSGRUVSUVAL-UHFFFAOYSA-N
MW350.39 g/mol
LogP1.63
Rot. Bonds4

About N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-[(4-fluorophenyl)methyl]oxamide

N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-[(4-fluorophenyl)methyl]oxamide (PubChem CID 18583846) has the molecular formula C18H23FN2O4 and a molecular weight of 350.39 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-[(4-fluorophenyl)methyl]oxamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-[(4-fluorophenyl)methyl]oxamide
PubChem CID18583846
Molecular FormulaC18H23FN2O4
Molecular Weight350.39 g/mol
Exact Mass350.16
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-[(4-fluorophenyl)methyl]oxamide
SMILESO=C(NCc1ccc(F)cc1)C(=O)NCC1COC2(CCCCC2)O1
InChIInChI=1S/C18H23FN2O4/c19-14-6-4-13(5-7-14)10-20-16(22)17(23)21-11-15-12-24-18(25-15)8-2-1-3-9-18/h4-7,15H,1-3,8-12H2,(H,20,22)(H,21,23)
InChIKeyORXLSGRUVSUVAL-UHFFFAOYSA-N
XLogP1.63
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-[(4-fluorophenyl)methyl]oxamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-[(4-fluorophenyl)methyl]oxamide (CID 18583846) is N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-[(4-fluorophenyl)methyl]oxamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-[(4-fluorophenyl)methyl]oxamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-[(4-fluorophenyl)methyl]oxamide is O=C(NCc1ccc(F)cc1)C(=O)NCC1COC2(CCCCC2)O1.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-[(4-fluorophenyl)methyl]oxamide?
The InChIKey is ORXLSGRUVSUVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O4/c19-14-6-4-13(5-7-14)10-20-16(22)17(23)21-11-15-12-24-18(25-15)8-2-1-3-9-18/h4-7,15H,1-3,8-12H2,(H,20,22)(H,21,23).
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-[(4-fluorophenyl)methyl]oxamide?
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-[(4-fluorophenyl)methyl]oxamide has a molecular weight of 350.39 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-[(4-fluorophenyl)methyl]oxamide is sourced from PubChem (CID 18583846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).