N-cyclobutyl-N-(3-hydroxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide

C12H20F3NO3 — CID 102866295

IUPACN-cyclobutyl-N-(3-hydroxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)N(CCCO)C1CCC1
InChIInChI=1S/C12H20F3NO3/c13-12(14,15)9-19-8-5-11(18)16(6-2-7-17)10-3-1-4-10/h10,17H,1-9H2
InChIKeyWBTLGEANRTZVPW-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.72
Rot. Bonds8

About N-cyclobutyl-N-(3-hydroxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide

N-cyclobutyl-N-(3-hydroxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 102866295) has the molecular formula C12H20F3NO3 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-cyclobutyl-N-(3-hydroxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-cyclobutyl-N-(3-hydroxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID102866295
Molecular FormulaC12H20F3NO3
Molecular Weight283.29 g/mol
Exact Mass283.14
IUPAC NameN-cyclobutyl-N-(3-hydroxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)N(CCCO)C1CCC1
InChIInChI=1S/C12H20F3NO3/c13-12(14,15)9-19-8-5-11(18)16(6-2-7-17)10-3-1-4-10/h10,17H,1-9H2
InChIKeyWBTLGEANRTZVPW-UHFFFAOYSA-N
XLogP1.72
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-cyclobutyl-N-(3-hydroxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide 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 N-cyclobutyl-N-(3-hydroxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-cyclobutyl-N-(3-hydroxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide (CID 102866295) is N-cyclobutyl-N-(3-hydroxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-cyclobutyl-N-(3-hydroxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-cyclobutyl-N-(3-hydroxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide is O=C(CCOCC(F)(F)F)N(CCCO)C1CCC1.
What is the InChIKey of N-cyclobutyl-N-(3-hydroxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is WBTLGEANRTZVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO3/c13-12(14,15)9-19-8-5-11(18)16(6-2-7-17)10-3-1-4-10/h10,17H,1-9H2.
What are the key properties of N-cyclobutyl-N-(3-hydroxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide?
N-cyclobutyl-N-(3-hydroxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 283.29 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-(3-hydroxypropyl)-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 102866295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).