N'-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]oxamide

C18H23FN2O4 — CID 7646618

IUPACN'-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]oxamide
SMILESO=C(NCCc1ccc(F)cc1)C(=O)NC[C@@H]1COC2(CCCC2)O1
InChIInChI=1S/C18H23FN2O4/c19-14-5-3-13(4-6-14)7-10-20-16(22)17(23)21-11-15-12-24-18(25-15)8-1-2-9-18/h3-6,15H,1-2,7-12H2,(H,20,22)(H,21,23)/t15-/m1/s1
InChIKeyVBPJUYQISVQCKF-OAHLLOKOSA-N
MW350.39 g/mol
LogP1.29
Rot. Bonds5

About N'-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]oxamide

N'-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]oxamide (PubChem CID 7646618) has the molecular formula C18H23FN2O4 and a molecular weight of 350.39 g/mol. Its IUPAC name is N'-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]oxamide
PubChem CID7646618
Molecular FormulaC18H23FN2O4
Molecular Weight350.39 g/mol
Exact Mass350.16
IUPAC NameN'-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]oxamide
SMILESO=C(NCCc1ccc(F)cc1)C(=O)NC[C@@H]1COC2(CCCC2)O1
InChIInChI=1S/C18H23FN2O4/c19-14-5-3-13(4-6-14)7-10-20-16(22)17(23)21-11-15-12-24-18(25-15)8-1-2-9-18/h3-6,15H,1-2,7-12H2,(H,20,22)(H,21,23)/t15-/m1/s1
InChIKeyVBPJUYQISVQCKF-OAHLLOKOSA-N
XLogP1.29
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 51.29
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'-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]oxamide?
The IUPAC name of N'-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]oxamide (CID 7646618) is N'-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]oxamide.
What is the SMILES notation for N'-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]oxamide?
The canonical SMILES for N'-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]oxamide is O=C(NCCc1ccc(F)cc1)C(=O)NC[C@@H]1COC2(CCCC2)O1.
What is the InChIKey of N'-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]oxamide?
The InChIKey is VBPJUYQISVQCKF-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23FN2O4/c19-14-5-3-13(4-6-14)7-10-20-16(22)17(23)21-11-15-12-24-18(25-15)8-1-2-9-18/h3-6,15H,1-2,7-12H2,(H,20,22)(H,21,23)/t15-/m1/s1.
What are the key properties of N'-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]oxamide?
N'-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]oxamide has a molecular weight of 350.39 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]oxamide is sourced from PubChem (CID 7646618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).