N-(1-cyclopropylethyl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide

C13H21F3N2O2 — CID 66267387

IUPACN-(1-cyclopropylethyl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)N(CC(F)(F)F)C(C)C1CC1
InChIInChI=1S/C13H21F3N2O2/c1-8(9-3-4-9)18(7-13(14,15)16)12(19)10-5-20-6-11(10)17-2/h8-11,17H,3-7H2,1-2H3
InChIKeyLBGZGOIWOZNOBO-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.41
Rot. Bonds5

About N-(1-cyclopropylethyl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide

N-(1-cyclopropylethyl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (PubChem CID 66267387) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
PubChem CID66267387
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC NameN-(1-cyclopropylethyl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)N(CC(F)(F)F)C(C)C1CC1
InChIInChI=1S/C13H21F3N2O2/c1-8(9-3-4-9)18(7-13(14,15)16)12(19)10-5-20-6-11(10)17-2/h8-11,17H,3-7H2,1-2H3
InChIKeyLBGZGOIWOZNOBO-UHFFFAOYSA-N
XLogP1.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The IUPAC name of N-(1-cyclopropylethyl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (CID 66267387) is N-(1-cyclopropylethyl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The canonical SMILES for N-(1-cyclopropylethyl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is CNC1COCC1C(=O)N(CC(F)(F)F)C(C)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The InChIKey is LBGZGOIWOZNOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c1-8(9-3-4-9)18(7-13(14,15)16)12(19)10-5-20-6-11(10)17-2/h8-11,17H,3-7H2,1-2H3.
What are the key properties of N-(1-cyclopropylethyl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
N-(1-cyclopropylethyl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide has a molecular weight of 294.32 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is sourced from PubChem (CID 66267387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).