2-(1-hydroxycyclopentyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]acetamide

C13H23F3N2O2 — CID 111430603

IUPAC2-(1-hydroxycyclopentyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]acetamide
SMILESCN(CCCNC(=O)CC1(O)CCCC1)CC(F)(F)F
InChIInChI=1S/C13H23F3N2O2/c1-18(10-13(14,15)16)8-4-7-17-11(19)9-12(20)5-2-3-6-12/h20H,2-10H2,1H3,(H,17,19)
InChIKeyDPHUXILPWYXVEV-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.68
Rot. Bonds7

About 2-(1-hydroxycyclopentyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]acetamide

2-(1-hydroxycyclopentyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]acetamide (PubChem CID 111430603) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-(1-hydroxycyclopentyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]acetamide.

Molecular Properties

Compound Name2-(1-hydroxycyclopentyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]acetamide
PubChem CID111430603
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Name2-(1-hydroxycyclopentyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]acetamide
SMILESCN(CCCNC(=O)CC1(O)CCCC1)CC(F)(F)F
InChIInChI=1S/C13H23F3N2O2/c1-18(10-13(14,15)16)8-4-7-17-11(19)9-12(20)5-2-3-6-12/h20H,2-10H2,1H3,(H,17,19)
InChIKeyDPHUXILPWYXVEV-UHFFFAOYSA-N
XLogP1.68
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1-hydroxycyclopentyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]acetamide 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 2-(1-hydroxycyclopentyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]acetamide?
The IUPAC name of 2-(1-hydroxycyclopentyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]acetamide (CID 111430603) is 2-(1-hydroxycyclopentyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]acetamide.
What is the SMILES notation for 2-(1-hydroxycyclopentyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]acetamide?
The canonical SMILES for 2-(1-hydroxycyclopentyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]acetamide is CN(CCCNC(=O)CC1(O)CCCC1)CC(F)(F)F.
What is the InChIKey of 2-(1-hydroxycyclopentyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]acetamide?
The InChIKey is DPHUXILPWYXVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-18(10-13(14,15)16)8-4-7-17-11(19)9-12(20)5-2-3-6-12/h20H,2-10H2,1H3,(H,17,19).
What are the key properties of 2-(1-hydroxycyclopentyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]acetamide?
2-(1-hydroxycyclopentyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]acetamide has a molecular weight of 296.33 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclopentyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]acetamide is sourced from PubChem (CID 111430603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).