N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-[2-(4-fluorophenyl)ethyl]oxamide

C19H25FN2O4 — CID 18583850

IUPACN'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-[2-(4-fluorophenyl)ethyl]oxamide
SMILESO=C(NCCc1ccc(F)cc1)C(=O)NCC1COC2(CCCCC2)O1
InChIInChI=1S/C19H25FN2O4/c20-15-6-4-14(5-7-15)8-11-21-17(23)18(24)22-12-16-13-25-19(26-16)9-2-1-3-10-19/h4-7,16H,1-3,8-13H2,(H,21,23)(H,22,24)
InChIKeyUELILVPCFVCWEQ-UHFFFAOYSA-N
MW364.42 g/mol
LogP1.68
Rot. Bonds5

About N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-[2-(4-fluorophenyl)ethyl]oxamide

N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-[2-(4-fluorophenyl)ethyl]oxamide (PubChem CID 18583850) has the molecular formula C19H25FN2O4 and a molecular weight of 364.42 g/mol. Its IUPAC name is N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-[2-(4-fluorophenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-[2-(4-fluorophenyl)ethyl]oxamide
PubChem CID18583850
Molecular FormulaC19H25FN2O4
Molecular Weight364.42 g/mol
Exact Mass364.18
IUPAC NameN'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-[2-(4-fluorophenyl)ethyl]oxamide
SMILESO=C(NCCc1ccc(F)cc1)C(=O)NCC1COC2(CCCCC2)O1
InChIInChI=1S/C19H25FN2O4/c20-15-6-4-14(5-7-15)8-11-21-17(23)18(24)22-12-16-13-25-19(26-16)9-2-1-3-10-19/h4-7,16H,1-3,8-13H2,(H,21,23)(H,22,24)
InChIKeyUELILVPCFVCWEQ-UHFFFAOYSA-N
XLogP1.68
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 51.68
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-[2-(4-fluorophenyl)ethyl]oxamide?
The IUPAC name of N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-[2-(4-fluorophenyl)ethyl]oxamide (CID 18583850) is N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-[2-(4-fluorophenyl)ethyl]oxamide.
What is the SMILES notation for N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-[2-(4-fluorophenyl)ethyl]oxamide?
The canonical SMILES for N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-[2-(4-fluorophenyl)ethyl]oxamide is O=C(NCCc1ccc(F)cc1)C(=O)NCC1COC2(CCCCC2)O1.
What is the InChIKey of N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-[2-(4-fluorophenyl)ethyl]oxamide?
The InChIKey is UELILVPCFVCWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O4/c20-15-6-4-14(5-7-15)8-11-21-17(23)18(24)22-12-16-13-25-19(26-16)9-2-1-3-10-19/h4-7,16H,1-3,8-13H2,(H,21,23)(H,22,24).
What are the key properties of N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-[2-(4-fluorophenyl)ethyl]oxamide?
N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-[2-(4-fluorophenyl)ethyl]oxamide has a molecular weight of 364.42 g/mol, XLogP of 1.68, 5 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-[2-(4-fluorophenyl)ethyl]oxamide is sourced from PubChem (CID 18583850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).