1-amino-3-ethoxy-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutane-1-carboxamide

C13H23F3N2O3 — CID 114829296

IUPAC1-amino-3-ethoxy-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NCCOCC(F)(F)F)C1(C)C
InChIInChI=1S/C13H23F3N2O3/c1-4-21-9-7-12(17,11(9,2)3)10(19)18-5-6-20-8-13(14,15)16/h9H,4-8,17H2,1-3H3,(H,18,19)
InChIKeyXLTLOUXRDPHQND-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.21
Rot. Bonds7

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

1-amino-3-ethoxy-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutane-1-carboxamide (PubChem CID 114829296) has the molecular formula C13H23F3N2O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 1-amino-3-ethoxy-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-ethoxy-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutane-1-carboxamide
PubChem CID114829296
Molecular FormulaC13H23F3N2O3
Molecular Weight312.33 g/mol
Exact Mass312.17
IUPAC Name1-amino-3-ethoxy-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NCCOCC(F)(F)F)C1(C)C
InChIInChI=1S/C13H23F3N2O3/c1-4-21-9-7-12(17,11(9,2)3)10(19)18-5-6-20-8-13(14,15)16/h9H,4-8,17H2,1-3H3,(H,18,19)
InChIKeyXLTLOUXRDPHQND-UHFFFAOYSA-N
XLogP1.21
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-amino-3-ethoxy-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]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-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-3-ethoxy-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutane-1-carboxamide (CID 114829296) is 1-amino-3-ethoxy-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-3-ethoxy-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-3-ethoxy-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutane-1-carboxamide is CCOC1CC(N)(C(=O)NCCOCC(F)(F)F)C1(C)C.
What is the InChIKey of 1-amino-3-ethoxy-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutane-1-carboxamide?
The InChIKey is XLTLOUXRDPHQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O3/c1-4-21-9-7-12(17,11(9,2)3)10(19)18-5-6-20-8-13(14,15)16/h9H,4-8,17H2,1-3H3,(H,18,19).
What are the key properties of 1-amino-3-ethoxy-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutane-1-carboxamide?
1-amino-3-ethoxy-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutane-1-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethoxy-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 114829296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).