4-(propan-2-ylamino)-N-(1,1,1-trifluoropropan-2-yl)oxane-4-carboxamide

C12H21F3N2O2 — CID 146476352

IUPAC4-(propan-2-ylamino)-N-(1,1,1-trifluoropropan-2-yl)oxane-4-carboxamide
SMILESCC(C)NC1(C(=O)NC(C)C(F)(F)F)CCOCC1
InChIInChI=1S/C12H21F3N2O2/c1-8(2)17-11(4-6-19-7-5-11)10(18)16-9(3)12(13,14)15/h8-9,17H,4-7H2,1-3H3,(H,16,18)
InChIKeyWBICERQVKSMFRJ-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.60
Rot. Bonds4

About 4-(propan-2-ylamino)-N-(1,1,1-trifluoropropan-2-yl)oxane-4-carboxamide

4-(propan-2-ylamino)-N-(1,1,1-trifluoropropan-2-yl)oxane-4-carboxamide (PubChem CID 146476352) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 4-(propan-2-ylamino)-N-(1,1,1-trifluoropropan-2-yl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(propan-2-ylamino)-N-(1,1,1-trifluoropropan-2-yl)oxane-4-carboxamide
PubChem CID146476352
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name4-(propan-2-ylamino)-N-(1,1,1-trifluoropropan-2-yl)oxane-4-carboxamide
SMILESCC(C)NC1(C(=O)NC(C)C(F)(F)F)CCOCC1
InChIInChI=1S/C12H21F3N2O2/c1-8(2)17-11(4-6-19-7-5-11)10(18)16-9(3)12(13,14)15/h8-9,17H,4-7H2,1-3H3,(H,16,18)
InChIKeyWBICERQVKSMFRJ-UHFFFAOYSA-N
XLogP1.60
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-ylamino)-N-(1,1,1-trifluoropropan-2-yl)oxane-4-carboxamide?
The IUPAC name of 4-(propan-2-ylamino)-N-(1,1,1-trifluoropropan-2-yl)oxane-4-carboxamide (CID 146476352) is 4-(propan-2-ylamino)-N-(1,1,1-trifluoropropan-2-yl)oxane-4-carboxamide.
What is the SMILES notation for 4-(propan-2-ylamino)-N-(1,1,1-trifluoropropan-2-yl)oxane-4-carboxamide?
The canonical SMILES for 4-(propan-2-ylamino)-N-(1,1,1-trifluoropropan-2-yl)oxane-4-carboxamide is CC(C)NC1(C(=O)NC(C)C(F)(F)F)CCOCC1.
What is the InChIKey of 4-(propan-2-ylamino)-N-(1,1,1-trifluoropropan-2-yl)oxane-4-carboxamide?
The InChIKey is WBICERQVKSMFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-8(2)17-11(4-6-19-7-5-11)10(18)16-9(3)12(13,14)15/h8-9,17H,4-7H2,1-3H3,(H,16,18).
What are the key properties of 4-(propan-2-ylamino)-N-(1,1,1-trifluoropropan-2-yl)oxane-4-carboxamide?
4-(propan-2-ylamino)-N-(1,1,1-trifluoropropan-2-yl)oxane-4-carboxamide has a molecular weight of 282.31 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylamino)-N-(1,1,1-trifluoropropan-2-yl)oxane-4-carboxamide is sourced from PubChem (CID 146476352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).