N'-cyclododecyl-N-[2-(4-fluorophenyl)ethyl]oxamide

C22H33FN2O2 — CID 108517458

IUPACN'-cyclododecyl-N-[2-(4-fluorophenyl)ethyl]oxamide
SMILESO=C(NCCc1ccc(F)cc1)C(=O)NC1CCCCCCCCCCC1
InChIInChI=1S/C22H33FN2O2/c23-19-14-12-18(13-15-19)16-17-24-21(26)22(27)25-20-10-8-6-4-2-1-3-5-7-9-11-20/h12-15,20H,1-11,16-17H2,(H,24,26)(H,25,27)
InChIKeyDFJUUOHZMSTVMY-UHFFFAOYSA-N
MW376.52 g/mol
LogP4.27
Rot. Bonds4

About N'-cyclododecyl-N-[2-(4-fluorophenyl)ethyl]oxamide

N'-cyclododecyl-N-[2-(4-fluorophenyl)ethyl]oxamide (PubChem CID 108517458) has the molecular formula C22H33FN2O2 and a molecular weight of 376.52 g/mol. Its IUPAC name is N'-cyclododecyl-N-[2-(4-fluorophenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-cyclododecyl-N-[2-(4-fluorophenyl)ethyl]oxamide
PubChem CID108517458
Molecular FormulaC22H33FN2O2
Molecular Weight376.52 g/mol
Exact Mass376.25
IUPAC NameN'-cyclododecyl-N-[2-(4-fluorophenyl)ethyl]oxamide
SMILESO=C(NCCc1ccc(F)cc1)C(=O)NC1CCCCCCCCCCC1
InChIInChI=1S/C22H33FN2O2/c23-19-14-12-18(13-15-19)16-17-24-21(26)22(27)25-20-10-8-6-4-2-1-3-5-7-9-11-20/h12-15,20H,1-11,16-17H2,(H,24,26)(H,25,27)
InChIKeyDFJUUOHZMSTVMY-UHFFFAOYSA-N
XLogP4.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'-cyclododecyl-N-[2-(4-fluorophenyl)ethyl]oxamide?
The IUPAC name of N'-cyclododecyl-N-[2-(4-fluorophenyl)ethyl]oxamide (CID 108517458) is N'-cyclododecyl-N-[2-(4-fluorophenyl)ethyl]oxamide.
What is the SMILES notation for N'-cyclododecyl-N-[2-(4-fluorophenyl)ethyl]oxamide?
The canonical SMILES for N'-cyclododecyl-N-[2-(4-fluorophenyl)ethyl]oxamide is O=C(NCCc1ccc(F)cc1)C(=O)NC1CCCCCCCCCCC1.
What is the InChIKey of N'-cyclododecyl-N-[2-(4-fluorophenyl)ethyl]oxamide?
The InChIKey is DFJUUOHZMSTVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33FN2O2/c23-19-14-12-18(13-15-19)16-17-24-21(26)22(27)25-20-10-8-6-4-2-1-3-5-7-9-11-20/h12-15,20H,1-11,16-17H2,(H,24,26)(H,25,27).
What are the key properties of N'-cyclododecyl-N-[2-(4-fluorophenyl)ethyl]oxamide?
N'-cyclododecyl-N-[2-(4-fluorophenyl)ethyl]oxamide has a molecular weight of 376.52 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclododecyl-N-[2-(4-fluorophenyl)ethyl]oxamide is sourced from PubChem (CID 108517458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).