N,N-dimethyl-5-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]oxolane-2-carboxamide

C15H25F3N2O2 — CID 119034531

IUPACN,N-dimethyl-5-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]oxolane-2-carboxamide
SMILESCN(C)C(=O)C1CCC(CNC2CCCC(C(F)(F)F)C2)O1
InChIInChI=1S/C15H25F3N2O2/c1-20(2)14(21)13-7-6-12(22-13)9-19-11-5-3-4-10(8-11)15(16,17)18/h10-13,19H,3-9H2,1-2H3
InChIKeyCXUXFCNQWBXCGW-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.33
Rot. Bonds4

About N,N-dimethyl-5-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]oxolane-2-carboxamide

N,N-dimethyl-5-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]oxolane-2-carboxamide (PubChem CID 119034531) has the molecular formula C15H25F3N2O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N,N-dimethyl-5-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]oxolane-2-carboxamide
PubChem CID119034531
Molecular FormulaC15H25F3N2O2
Molecular Weight322.37 g/mol
Exact Mass322.19
IUPAC NameN,N-dimethyl-5-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]oxolane-2-carboxamide
SMILESCN(C)C(=O)C1CCC(CNC2CCCC(C(F)(F)F)C2)O1
InChIInChI=1S/C15H25F3N2O2/c1-20(2)14(21)13-7-6-12(22-13)9-19-11-5-3-4-10(8-11)15(16,17)18/h10-13,19H,3-9H2,1-2H3
InChIKeyCXUXFCNQWBXCGW-UHFFFAOYSA-N
XLogP2.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]oxolane-2-carboxamide?
The IUPAC name of N,N-dimethyl-5-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]oxolane-2-carboxamide (CID 119034531) is N,N-dimethyl-5-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]oxolane-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]oxolane-2-carboxamide?
The canonical SMILES for N,N-dimethyl-5-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]oxolane-2-carboxamide is CN(C)C(=O)C1CCC(CNC2CCCC(C(F)(F)F)C2)O1.
What is the InChIKey of N,N-dimethyl-5-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]oxolane-2-carboxamide?
The InChIKey is CXUXFCNQWBXCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O2/c1-20(2)14(21)13-7-6-12(22-13)9-19-11-5-3-4-10(8-11)15(16,17)18/h10-13,19H,3-9H2,1-2H3.
What are the key properties of N,N-dimethyl-5-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]oxolane-2-carboxamide?
N,N-dimethyl-5-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]oxolane-2-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 119034531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).