N-(1-cyano-1-cyclopropylethyl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide

C12H18F3N3O2 — CID 103856838

IUPACN-(1-cyano-1-cyclopropylethyl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide
SMILESCC(C#N)(NC(=O)CN(CCO)CC(F)(F)F)C1CC1
InChIInChI=1S/C12H18F3N3O2/c1-11(7-16,9-2-3-9)17-10(20)6-18(4-5-19)8-12(13,14)15/h9,19H,2-6,8H2,1H3,(H,17,20)
InChIKeyXRHKDRNVAQUAMF-UHFFFAOYSA-N
MW293.29 g/mol
LogP0.65
Rot. Bonds7

About N-(1-cyano-1-cyclopropylethyl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide

N-(1-cyano-1-cyclopropylethyl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide (PubChem CID 103856838) has the molecular formula C12H18F3N3O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is N-(1-cyano-1-cyclopropylethyl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide.

Molecular Properties

Compound NameN-(1-cyano-1-cyclopropylethyl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide
PubChem CID103856838
Molecular FormulaC12H18F3N3O2
Molecular Weight293.29 g/mol
Exact Mass293.14
IUPAC NameN-(1-cyano-1-cyclopropylethyl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide
SMILESCC(C#N)(NC(=O)CN(CCO)CC(F)(F)F)C1CC1
InChIInChI=1S/C12H18F3N3O2/c1-11(7-16,9-2-3-9)17-10(20)6-18(4-5-19)8-12(13,14)15/h9,19H,2-6,8H2,1H3,(H,17,20)
InChIKeyXRHKDRNVAQUAMF-UHFFFAOYSA-N
XLogP0.65
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-cyano-1-cyclopropylethyl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]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 N-(1-cyano-1-cyclopropylethyl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide?
The IUPAC name of N-(1-cyano-1-cyclopropylethyl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide (CID 103856838) is N-(1-cyano-1-cyclopropylethyl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide.
What is the SMILES notation for N-(1-cyano-1-cyclopropylethyl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide?
The canonical SMILES for N-(1-cyano-1-cyclopropylethyl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide is CC(C#N)(NC(=O)CN(CCO)CC(F)(F)F)C1CC1.
What is the InChIKey of N-(1-cyano-1-cyclopropylethyl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide?
The InChIKey is XRHKDRNVAQUAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O2/c1-11(7-16,9-2-3-9)17-10(20)6-18(4-5-19)8-12(13,14)15/h9,19H,2-6,8H2,1H3,(H,17,20).
What are the key properties of N-(1-cyano-1-cyclopropylethyl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide?
N-(1-cyano-1-cyclopropylethyl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide has a molecular weight of 293.29 g/mol, XLogP of 0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-1-cyclopropylethyl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide is sourced from PubChem (CID 103856838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).