1-amino-3-ethoxy-2,2-dimethyl-N-(3,3,3-trifluoropropyl)cyclobutane-1-carboxamide

C12H21F3N2O2 — CID 114829212

IUPAC1-amino-3-ethoxy-2,2-dimethyl-N-(3,3,3-trifluoropropyl)cyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NCCC(F)(F)F)C1(C)C
InChIInChI=1S/C12H21F3N2O2/c1-4-19-8-7-11(16,10(8,2)3)9(18)17-6-5-12(13,14)15/h8H,4-7,16H2,1-3H3,(H,17,18)
InChIKeyZLBZZIAWHZOXKZ-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.59
Rot. Bonds5

About 1-amino-3-ethoxy-2,2-dimethyl-N-(3,3,3-trifluoropropyl)cyclobutane-1-carboxamide

1-amino-3-ethoxy-2,2-dimethyl-N-(3,3,3-trifluoropropyl)cyclobutane-1-carboxamide (PubChem CID 114829212) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 1-amino-3-ethoxy-2,2-dimethyl-N-(3,3,3-trifluoropropyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-ethoxy-2,2-dimethyl-N-(3,3,3-trifluoropropyl)cyclobutane-1-carboxamide
PubChem CID114829212
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name1-amino-3-ethoxy-2,2-dimethyl-N-(3,3,3-trifluoropropyl)cyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NCCC(F)(F)F)C1(C)C
InChIInChI=1S/C12H21F3N2O2/c1-4-19-8-7-11(16,10(8,2)3)9(18)17-6-5-12(13,14)15/h8H,4-7,16H2,1-3H3,(H,17,18)
InChIKeyZLBZZIAWHZOXKZ-UHFFFAOYSA-N
XLogP1.59
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethoxy-2,2-dimethyl-N-(3,3,3-trifluoropropyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-3-ethoxy-2,2-dimethyl-N-(3,3,3-trifluoropropyl)cyclobutane-1-carboxamide (CID 114829212) is 1-amino-3-ethoxy-2,2-dimethyl-N-(3,3,3-trifluoropropyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-3-ethoxy-2,2-dimethyl-N-(3,3,3-trifluoropropyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-3-ethoxy-2,2-dimethyl-N-(3,3,3-trifluoropropyl)cyclobutane-1-carboxamide is CCOC1CC(N)(C(=O)NCCC(F)(F)F)C1(C)C.
What is the InChIKey of 1-amino-3-ethoxy-2,2-dimethyl-N-(3,3,3-trifluoropropyl)cyclobutane-1-carboxamide?
The InChIKey is ZLBZZIAWHZOXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-4-19-8-7-11(16,10(8,2)3)9(18)17-6-5-12(13,14)15/h8H,4-7,16H2,1-3H3,(H,17,18).
What are the key properties of 1-amino-3-ethoxy-2,2-dimethyl-N-(3,3,3-trifluoropropyl)cyclobutane-1-carboxamide?
1-amino-3-ethoxy-2,2-dimethyl-N-(3,3,3-trifluoropropyl)cyclobutane-1-carboxamide has a molecular weight of 282.31 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethoxy-2,2-dimethyl-N-(3,3,3-trifluoropropyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 114829212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).