1-amino-3-ethoxy-N,2,2-trimethyl-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide

C12H21F3N2O2 — CID 114828498

IUPAC1-amino-3-ethoxy-N,2,2-trimethyl-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)N(C)CC(F)(F)F)C1(C)C
InChIInChI=1S/C12H21F3N2O2/c1-5-19-8-6-11(16,10(8,2)3)9(18)17(4)7-12(13,14)15/h8H,5-7,16H2,1-4H3
InChIKeyKAAHLYYSKXNOJL-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.54
Rot. Bonds4

About 1-amino-3-ethoxy-N,2,2-trimethyl-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide

1-amino-3-ethoxy-N,2,2-trimethyl-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide (PubChem CID 114828498) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 1-amino-3-ethoxy-N,2,2-trimethyl-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-ethoxy-N,2,2-trimethyl-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide
PubChem CID114828498
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name1-amino-3-ethoxy-N,2,2-trimethyl-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)N(C)CC(F)(F)F)C1(C)C
InChIInChI=1S/C12H21F3N2O2/c1-5-19-8-6-11(16,10(8,2)3)9(18)17(4)7-12(13,14)15/h8H,5-7,16H2,1-4H3
InChIKeyKAAHLYYSKXNOJL-UHFFFAOYSA-N
XLogP1.54
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethoxy-N,2,2-trimethyl-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-3-ethoxy-N,2,2-trimethyl-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide (CID 114828498) is 1-amino-3-ethoxy-N,2,2-trimethyl-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-3-ethoxy-N,2,2-trimethyl-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-3-ethoxy-N,2,2-trimethyl-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide is CCOC1CC(N)(C(=O)N(C)CC(F)(F)F)C1(C)C.
What is the InChIKey of 1-amino-3-ethoxy-N,2,2-trimethyl-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide?
The InChIKey is KAAHLYYSKXNOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-5-19-8-6-11(16,10(8,2)3)9(18)17(4)7-12(13,14)15/h8H,5-7,16H2,1-4H3.
What are the key properties of 1-amino-3-ethoxy-N,2,2-trimethyl-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide?
1-amino-3-ethoxy-N,2,2-trimethyl-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide has a molecular weight of 282.31 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethoxy-N,2,2-trimethyl-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 114828498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).