4-amino-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide

C11H19F3N2O2 — CID 66249075

IUPAC4-amino-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)C1(C)COCC1N
InChIInChI=1S/C11H19F3N2O2/c1-3-4-16(6-11(12,13)14)9(17)10(2)7-18-5-8(10)15/h8H,3-7,15H2,1-2H3
InChIKeyBXWTXPWBRZPMFZ-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.15
Rot. Bonds4

About 4-amino-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide

4-amino-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (PubChem CID 66249075) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 4-amino-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
PubChem CID66249075
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name4-amino-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)C1(C)COCC1N
InChIInChI=1S/C11H19F3N2O2/c1-3-4-16(6-11(12,13)14)9(17)10(2)7-18-5-8(10)15/h8H,3-7,15H2,1-2H3
InChIKeyBXWTXPWBRZPMFZ-UHFFFAOYSA-N
XLogP1.15
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The IUPAC name of 4-amino-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (CID 66249075) is 4-amino-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The canonical SMILES for 4-amino-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is CCCN(CC(F)(F)F)C(=O)C1(C)COCC1N.
What is the InChIKey of 4-amino-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The InChIKey is BXWTXPWBRZPMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-3-4-16(6-11(12,13)14)9(17)10(2)7-18-5-8(10)15/h8H,3-7,15H2,1-2H3.
What are the key properties of 4-amino-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
4-amino-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is sourced from PubChem (CID 66249075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).