4-amino-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]oxolane-3-carboxamide

C13H21F3N2O2 — CID 66249253

IUPAC4-amino-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]oxolane-3-carboxamide
SMILESCC1(C(=O)NC2CCCC(C(F)(F)F)C2)COCC1N
InChIInChI=1S/C13H21F3N2O2/c1-12(7-20-6-10(12)17)11(19)18-9-4-2-3-8(5-9)13(14,15)16/h8-10H,2-7,17H2,1H3,(H,18,19)
InChIKeyPBYGQBZHUFSFFW-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.59
Rot. Bonds2

About 4-amino-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]oxolane-3-carboxamide

4-amino-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]oxolane-3-carboxamide (PubChem CID 66249253) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is 4-amino-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]oxolane-3-carboxamide
PubChem CID66249253
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC Name4-amino-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]oxolane-3-carboxamide
SMILESCC1(C(=O)NC2CCCC(C(F)(F)F)C2)COCC1N
InChIInChI=1S/C13H21F3N2O2/c1-12(7-20-6-10(12)17)11(19)18-9-4-2-3-8(5-9)13(14,15)16/h8-10H,2-7,17H2,1H3,(H,18,19)
InChIKeyPBYGQBZHUFSFFW-UHFFFAOYSA-N
XLogP1.59
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]oxolane-3-carboxamide (CID 66249253) is 4-amino-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]oxolane-3-carboxamide is CC1(C(=O)NC2CCCC(C(F)(F)F)C2)COCC1N.
What is the InChIKey of 4-amino-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]oxolane-3-carboxamide?
The InChIKey is PBYGQBZHUFSFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c1-12(7-20-6-10(12)17)11(19)18-9-4-2-3-8(5-9)13(14,15)16/h8-10H,2-7,17H2,1H3,(H,18,19).
What are the key properties of 4-amino-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]oxolane-3-carboxamide?
4-amino-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]oxolane-3-carboxamide has a molecular weight of 294.32 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]oxolane-3-carboxamide is sourced from PubChem (CID 66249253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).