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

C18H23FN2O4 — CID 7423599

IUPACN-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-N'-[(4-fluorophenyl)methyl]oxamide
SMILESO=C(NCc1ccc(F)cc1)C(=O)NC[C@H]1COC2(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)/t15-/m0/s1
InChIKeyORXLSGRUVSUVAL-HNNXBMFYSA-N
MW350.39 g/mol
LogP1.63
Rot. Bonds4

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

N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-N'-[(4-fluorophenyl)methyl]oxamide (PubChem CID 7423599) has the molecular formula C18H23FN2O4 and a molecular weight of 350.39 g/mol. Its IUPAC name is N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-N'-[(4-fluorophenyl)methyl]oxamide.

Molecular Properties

Compound NameN-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-N'-[(4-fluorophenyl)methyl]oxamide
PubChem CID7423599
Molecular FormulaC18H23FN2O4
Molecular Weight350.39 g/mol
Exact Mass350.16
IUPAC NameN-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-N'-[(4-fluorophenyl)methyl]oxamide
SMILESO=C(NCc1ccc(F)cc1)C(=O)NC[C@H]1COC2(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)/t15-/m0/s1
InChIKeyORXLSGRUVSUVAL-HNNXBMFYSA-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-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-N'-[(4-fluorophenyl)methyl]oxamide?
The IUPAC name of N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-N'-[(4-fluorophenyl)methyl]oxamide (CID 7423599) is N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-N'-[(4-fluorophenyl)methyl]oxamide.
What is the SMILES notation for N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-N'-[(4-fluorophenyl)methyl]oxamide?
The canonical SMILES for N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-N'-[(4-fluorophenyl)methyl]oxamide is O=C(NCc1ccc(F)cc1)C(=O)NC[C@H]1COC2(CCCCC2)O1.
What is the InChIKey of N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-N'-[(4-fluorophenyl)methyl]oxamide?
The InChIKey is ORXLSGRUVSUVAL-HNNXBMFYSA-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)/t15-/m0/s1.
What are the key properties of N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-N'-[(4-fluorophenyl)methyl]oxamide?
N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-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-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-N'-[(4-fluorophenyl)methyl]oxamide is sourced from PubChem (CID 7423599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).