2-(1-aminocyclobutyl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide

C13H23F3N2O2 — CID 79854442

IUPAC2-(1-aminocyclobutyl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)CC1(N)CCC1
InChIInChI=1S/C13H23F3N2O2/c1-2-20-8-4-7-18(10-13(14,15)16)11(19)9-12(17)5-3-6-12/h2-10,17H2,1H3
InChIKeyVEYMCCCZMBVQJG-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.08
Rot. Bonds8

About 2-(1-aminocyclobutyl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide

2-(1-aminocyclobutyl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 79854442) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID79854442
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Name2-(1-aminocyclobutyl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)CC1(N)CCC1
InChIInChI=1S/C13H23F3N2O2/c1-2-20-8-4-7-18(10-13(14,15)16)11(19)9-12(17)5-3-6-12/h2-10,17H2,1H3
InChIKeyVEYMCCCZMBVQJG-UHFFFAOYSA-N
XLogP2.08
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1-aminocyclobutyl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(1-aminocyclobutyl)-N,N-bis(2-ethoxyethyl)acetamide
CID 82966068
N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)cyclopropanecarboxamide
CID 60766142
N-(3-ethoxypropyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
CID 79204341
2-(1-aminocyclohexyl)-N-(2-ethoxyethyl)-N-ethylacetamide
CID 64677265
N-(3-ethoxypropyl)-2-methyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
CID 104596442
2-(1-aminocyclohexyl)-N-(2-ethoxyethyl)-N-methylacetamide
CID 81058742
3-amino-N-(3-ethoxypropyl)-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 65269422
2-(aminomethyl)-N-(3-ethoxypropyl)-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 115432120
N-(3-ethoxypropyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide
CID 112687246
2-(1-aminocyclobutyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)acetamide
CID 79854204
(2R)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 93371950
(2S)-2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)hexanamide
CID 107144494

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(1-aminocyclobutyl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 79854442) is 2-(1-aminocyclobutyl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(1-aminocyclobutyl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(1-aminocyclobutyl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide is CCOCCCN(CC(F)(F)F)C(=O)CC1(N)CCC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is VEYMCCCZMBVQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-2-20-8-4-7-18(10-13(14,15)16)11(19)9-12(17)5-3-6-12/h2-10,17H2,1H3.
What are the key properties of 2-(1-aminocyclobutyl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(1-aminocyclobutyl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 296.33 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 79854442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).