N-[(2-methoxy-2-adamantyl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide

C16H23F3N2O3 — CID 90624347

IUPACN-[(2-methoxy-2-adamantyl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide
SMILESCOC1(CNC(=O)C(=O)NCC(F)(F)F)C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H23F3N2O3/c1-24-15(7-20-13(22)14(23)21-8-16(17,18)19)11-3-9-2-10(5-11)6-12(15)4-9/h9-12H,2-8H2,1H3,(H,20,22)(H,21,23)
InChIKeyGVNATPMLBPVFAR-UHFFFAOYSA-N
MW348.37 g/mol
LogP1.62
Rot. Bonds4

About N-[(2-methoxy-2-adamantyl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide

N-[(2-methoxy-2-adamantyl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide (PubChem CID 90624347) has the molecular formula C16H23F3N2O3 and a molecular weight of 348.37 g/mol. Its IUPAC name is N-[(2-methoxy-2-adamantyl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide.

Molecular Properties

Compound NameN-[(2-methoxy-2-adamantyl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide
PubChem CID90624347
Molecular FormulaC16H23F3N2O3
Molecular Weight348.37 g/mol
Exact Mass348.17
IUPAC NameN-[(2-methoxy-2-adamantyl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide
SMILESCOC1(CNC(=O)C(=O)NCC(F)(F)F)C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H23F3N2O3/c1-24-15(7-20-13(22)14(23)21-8-16(17,18)19)11-3-9-2-10(5-11)6-12(15)4-9/h9-12H,2-8H2,1H3,(H,20,22)(H,21,23)
InChIKeyGVNATPMLBPVFAR-UHFFFAOYSA-N
XLogP1.62
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(2-methoxy-2-adamantyl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide?
The IUPAC name of N-[(2-methoxy-2-adamantyl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide (CID 90624347) is N-[(2-methoxy-2-adamantyl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide.
What is the SMILES notation for N-[(2-methoxy-2-adamantyl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide?
The canonical SMILES for N-[(2-methoxy-2-adamantyl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide is COC1(CNC(=O)C(=O)NCC(F)(F)F)C2CC3CC(C2)CC1C3.
What is the InChIKey of N-[(2-methoxy-2-adamantyl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide?
The InChIKey is GVNATPMLBPVFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O3/c1-24-15(7-20-13(22)14(23)21-8-16(17,18)19)11-3-9-2-10(5-11)6-12(15)4-9/h9-12H,2-8H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[(2-methoxy-2-adamantyl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide?
N-[(2-methoxy-2-adamantyl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide has a molecular weight of 348.37 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-2-adamantyl)methyl]-N'-(2,2,2-trifluoroethyl)oxamide is sourced from PubChem (CID 90624347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).