1-amino-3-ethoxy-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclobutane-1-carboxamide

C13H21F3N2O2 — CID 106213269

IUPAC1-amino-3-ethoxy-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NC2(C(F)(F)F)CC2)C1(C)C
InChIInChI=1S/C13H21F3N2O2/c1-4-20-8-7-12(17,10(8,2)3)9(19)18-11(5-6-11)13(14,15)16/h8H,4-7,17H2,1-3H3,(H,18,19)
InChIKeyTTWXGNYPCRSCMF-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.73
Rot. Bonds4

About 1-amino-3-ethoxy-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclobutane-1-carboxamide

1-amino-3-ethoxy-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclobutane-1-carboxamide (PubChem CID 106213269) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is 1-amino-3-ethoxy-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-ethoxy-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclobutane-1-carboxamide
PubChem CID106213269
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC Name1-amino-3-ethoxy-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NC2(C(F)(F)F)CC2)C1(C)C
InChIInChI=1S/C13H21F3N2O2/c1-4-20-8-7-12(17,10(8,2)3)9(19)18-11(5-6-11)13(14,15)16/h8H,4-7,17H2,1-3H3,(H,18,19)
InChIKeyTTWXGNYPCRSCMF-UHFFFAOYSA-N
XLogP1.73
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-amino-3-ethoxy-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclobutane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethoxy-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-3-ethoxy-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclobutane-1-carboxamide (CID 106213269) is 1-amino-3-ethoxy-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-3-ethoxy-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-3-ethoxy-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclobutane-1-carboxamide is CCOC1CC(N)(C(=O)NC2(C(F)(F)F)CC2)C1(C)C.
What is the InChIKey of 1-amino-3-ethoxy-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclobutane-1-carboxamide?
The InChIKey is TTWXGNYPCRSCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c1-4-20-8-7-12(17,10(8,2)3)9(19)18-11(5-6-11)13(14,15)16/h8H,4-7,17H2,1-3H3,(H,18,19).
What are the key properties of 1-amino-3-ethoxy-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclobutane-1-carboxamide?
1-amino-3-ethoxy-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclobutane-1-carboxamide has a molecular weight of 294.32 g/mol, XLogP of 1.73, 4 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-[1-(trifluoromethyl)cyclopropyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 106213269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).