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

C12H19F3N2O2 — CID 64891348

IUPAC3-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)C1(N)CCOC1
InChIInChI=1S/C12H19F3N2O2/c1-8(9-2-3-9)17(6-12(13,14)15)10(18)11(16)4-5-19-7-11/h8-9H,2-7,16H2,1H3
InChIKeyDPBAPQRPZSFRDS-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.29
Rot. Bonds4

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

3-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (PubChem CID 64891348) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 3-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
PubChem CID64891348
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC Name3-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)C1(N)CCOC1
InChIInChI=1S/C12H19F3N2O2/c1-8(9-2-3-9)17(6-12(13,14)15)10(18)11(16)4-5-19-7-11/h8-9H,2-7,16H2,1H3
InChIKeyDPBAPQRPZSFRDS-UHFFFAOYSA-N
XLogP1.29
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(1-cyclopropylethyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide
CID 55080719
3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 64890960
3-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 64890999
3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 64891155
3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 64891192
(3-Aminooxolan-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 64891337
3-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 64891355
3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide
CID 64891757
3-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 64892150
3-amino-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide
CID 64892203
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 64892558
(3-Aminooxolan-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 64892788

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (CID 64891348) is 3-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is CC(C1CC1)N(CC(F)(F)F)C(=O)C1(N)CCOC1.
What is the InChIKey of 3-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The InChIKey is DPBAPQRPZSFRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c1-8(9-2-3-9)17(6-12(13,14)15)10(18)11(16)4-5-19-7-11/h8-9H,2-7,16H2,1H3.
What are the key properties of 3-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
3-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide has a molecular weight of 280.29 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is sourced from PubChem (CID 64891348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).