1-amino-3-ethoxy-2,2-dimethyl-N-(4,4,4-trifluorobutyl)cyclobutane-1-carboxamide

C13H23F3N2O2 — CID 114829739

IUPAC1-amino-3-ethoxy-2,2-dimethyl-N-(4,4,4-trifluorobutyl)cyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NCCCC(F)(F)F)C1(C)C
InChIInChI=1S/C13H23F3N2O2/c1-4-20-9-8-12(17,11(9,2)3)10(19)18-7-5-6-13(14,15)16/h9H,4-8,17H2,1-3H3,(H,18,19)
InChIKeyFIASSNVBKFHEAP-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.98
Rot. Bonds6

About 1-amino-3-ethoxy-2,2-dimethyl-N-(4,4,4-trifluorobutyl)cyclobutane-1-carboxamide

1-amino-3-ethoxy-2,2-dimethyl-N-(4,4,4-trifluorobutyl)cyclobutane-1-carboxamide (PubChem CID 114829739) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-amino-3-ethoxy-2,2-dimethyl-N-(4,4,4-trifluorobutyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-ethoxy-2,2-dimethyl-N-(4,4,4-trifluorobutyl)cyclobutane-1-carboxamide
PubChem CID114829739
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Name1-amino-3-ethoxy-2,2-dimethyl-N-(4,4,4-trifluorobutyl)cyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NCCCC(F)(F)F)C1(C)C
InChIInChI=1S/C13H23F3N2O2/c1-4-20-9-8-12(17,11(9,2)3)10(19)18-7-5-6-13(14,15)16/h9H,4-8,17H2,1-3H3,(H,18,19)
InChIKeyFIASSNVBKFHEAP-UHFFFAOYSA-N
XLogP1.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethoxy-2,2-dimethyl-N-(4,4,4-trifluorobutyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-3-ethoxy-2,2-dimethyl-N-(4,4,4-trifluorobutyl)cyclobutane-1-carboxamide (CID 114829739) is 1-amino-3-ethoxy-2,2-dimethyl-N-(4,4,4-trifluorobutyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-3-ethoxy-2,2-dimethyl-N-(4,4,4-trifluorobutyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-3-ethoxy-2,2-dimethyl-N-(4,4,4-trifluorobutyl)cyclobutane-1-carboxamide is CCOC1CC(N)(C(=O)NCCCC(F)(F)F)C1(C)C.
What is the InChIKey of 1-amino-3-ethoxy-2,2-dimethyl-N-(4,4,4-trifluorobutyl)cyclobutane-1-carboxamide?
The InChIKey is FIASSNVBKFHEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-4-20-9-8-12(17,11(9,2)3)10(19)18-7-5-6-13(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-(4,4,4-trifluorobutyl)cyclobutane-1-carboxamide?
1-amino-3-ethoxy-2,2-dimethyl-N-(4,4,4-trifluorobutyl)cyclobutane-1-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 1.98, 6 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-(4,4,4-trifluorobutyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 114829739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).