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

C14H23F3N2O2 — CID 66259260

IUPAC4-(ethylamino)-N-[4-(trifluoromethyl)cyclohexyl]oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H23F3N2O2/c1-2-18-12-8-21-7-11(12)13(20)19-10-5-3-9(4-6-10)14(15,16)17/h9-12,18H,2-8H2,1H3,(H,19,20)
InChIKeyHLPMVKDWMKJKFV-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.85
Rot. Bonds4

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

4-(ethylamino)-N-[4-(trifluoromethyl)cyclohexyl]oxolane-3-carboxamide (PubChem CID 66259260) has the molecular formula C14H23F3N2O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 4-(ethylamino)-N-[4-(trifluoromethyl)cyclohexyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-N-[4-(trifluoromethyl)cyclohexyl]oxolane-3-carboxamide
PubChem CID66259260
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC Name4-(ethylamino)-N-[4-(trifluoromethyl)cyclohexyl]oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H23F3N2O2/c1-2-18-12-8-21-7-11(12)13(20)19-10-5-3-9(4-6-10)14(15,16)17/h9-12,18H,2-8H2,1H3,(H,19,20)
InChIKeyHLPMVKDWMKJKFV-UHFFFAOYSA-N
XLogP1.85
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-[4-(trifluoromethyl)cyclohexyl]oxolane-3-carboxamide?
The IUPAC name of 4-(ethylamino)-N-[4-(trifluoromethyl)cyclohexyl]oxolane-3-carboxamide (CID 66259260) is 4-(ethylamino)-N-[4-(trifluoromethyl)cyclohexyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-(ethylamino)-N-[4-(trifluoromethyl)cyclohexyl]oxolane-3-carboxamide?
The canonical SMILES for 4-(ethylamino)-N-[4-(trifluoromethyl)cyclohexyl]oxolane-3-carboxamide is CCNC1COCC1C(=O)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 4-(ethylamino)-N-[4-(trifluoromethyl)cyclohexyl]oxolane-3-carboxamide?
The InChIKey is HLPMVKDWMKJKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O2/c1-2-18-12-8-21-7-11(12)13(20)19-10-5-3-9(4-6-10)14(15,16)17/h9-12,18H,2-8H2,1H3,(H,19,20).
What are the key properties of 4-(ethylamino)-N-[4-(trifluoromethyl)cyclohexyl]oxolane-3-carboxamide?
4-(ethylamino)-N-[4-(trifluoromethyl)cyclohexyl]oxolane-3-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-[4-(trifluoromethyl)cyclohexyl]oxolane-3-carboxamide is sourced from PubChem (CID 66259260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).