1-amino-3-ethoxy-2,2-dimethyl-N-(5,5,5-trifluoropentyl)cyclobutane-1-carboxamide

C14H25F3N2O2 — CID 114829741

IUPAC1-amino-3-ethoxy-2,2-dimethyl-N-(5,5,5-trifluoropentyl)cyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NCCCCC(F)(F)F)C1(C)C
InChIInChI=1S/C14H25F3N2O2/c1-4-21-10-9-13(18,12(10,2)3)11(20)19-8-6-5-7-14(15,16)17/h10H,4-9,18H2,1-3H3,(H,19,20)
InChIKeyZDFUTQLWRFUVPE-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.37
Rot. Bonds7

About 1-amino-3-ethoxy-2,2-dimethyl-N-(5,5,5-trifluoropentyl)cyclobutane-1-carboxamide

1-amino-3-ethoxy-2,2-dimethyl-N-(5,5,5-trifluoropentyl)cyclobutane-1-carboxamide (PubChem CID 114829741) has the molecular formula C14H25F3N2O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-amino-3-ethoxy-2,2-dimethyl-N-(5,5,5-trifluoropentyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-ethoxy-2,2-dimethyl-N-(5,5,5-trifluoropentyl)cyclobutane-1-carboxamide
PubChem CID114829741
Molecular FormulaC14H25F3N2O2
Molecular Weight310.36 g/mol
Exact Mass310.19
IUPAC Name1-amino-3-ethoxy-2,2-dimethyl-N-(5,5,5-trifluoropentyl)cyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NCCCCC(F)(F)F)C1(C)C
InChIInChI=1S/C14H25F3N2O2/c1-4-21-10-9-13(18,12(10,2)3)11(20)19-8-6-5-7-14(15,16)17/h10H,4-9,18H2,1-3H3,(H,19,20)
InChIKeyZDFUTQLWRFUVPE-UHFFFAOYSA-N
XLogP2.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-amino-3-ethoxy-2,2-dimethyl-N-(5,5,5-trifluoropentyl)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-(5,5,5-trifluoropentyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-3-ethoxy-2,2-dimethyl-N-(5,5,5-trifluoropentyl)cyclobutane-1-carboxamide (CID 114829741) is 1-amino-3-ethoxy-2,2-dimethyl-N-(5,5,5-trifluoropentyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-3-ethoxy-2,2-dimethyl-N-(5,5,5-trifluoropentyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-3-ethoxy-2,2-dimethyl-N-(5,5,5-trifluoropentyl)cyclobutane-1-carboxamide is CCOC1CC(N)(C(=O)NCCCCC(F)(F)F)C1(C)C.
What is the InChIKey of 1-amino-3-ethoxy-2,2-dimethyl-N-(5,5,5-trifluoropentyl)cyclobutane-1-carboxamide?
The InChIKey is ZDFUTQLWRFUVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O2/c1-4-21-10-9-13(18,12(10,2)3)11(20)19-8-6-5-7-14(15,16)17/h10H,4-9,18H2,1-3H3,(H,19,20).
What are the key properties of 1-amino-3-ethoxy-2,2-dimethyl-N-(5,5,5-trifluoropentyl)cyclobutane-1-carboxamide?
1-amino-3-ethoxy-2,2-dimethyl-N-(5,5,5-trifluoropentyl)cyclobutane-1-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 2.37, 7 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-(5,5,5-trifluoropentyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 114829741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).