2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide

C9H18F3N3O2 — CID 54989201

IUPAC2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)C(CN)C(F)(F)F
InChIInChI=1S/C9H18F3N3O2/c1-15(7(5-13)9(10,11)12)6-8(16)14-3-4-17-2/h7H,3-6,13H2,1-2H3,(H,14,16)
InChIKeyOUUPQTXQWQEWMO-UHFFFAOYSA-N
MW257.26 g/mol
LogP-0.43
Rot. Bonds7

About 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide

2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 54989201) has the molecular formula C9H18F3N3O2 and a molecular weight of 257.26 g/mol. Its IUPAC name is 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide
PubChem CID54989201
Molecular FormulaC9H18F3N3O2
Molecular Weight257.26 g/mol
Exact Mass257.14
IUPAC Name2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)C(CN)C(F)(F)F
InChIInChI=1S/C9H18F3N3O2/c1-15(7(5-13)9(10,11)12)6-8(16)14-3-4-17-2/h7H,3-6,13H2,1-2H3,(H,14,16)
InChIKeyOUUPQTXQWQEWMO-UHFFFAOYSA-N
XLogP-0.43
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-N-(2-methoxyethyl)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

N-[2-(dimethylamino)ethyl]-N'-(2-methoxyethyl)ethanediamide
CID 16468583
N1-(2-morpholinoethyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 45585038
N1-(2-methoxyethyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 45585926
2-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 53609803
N-(2-methoxyethyl)-2-[methyl(2-methylpropyl)amino]propanamide
CID 75385915
2-(Methoxymethyl)-1-(trifluoroacetyl)piperazine
CID 21295713
2,2,2-trifluoro-N-methyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]acetamide
CID 58007240
2,2,2-trifluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide
CID 122605534
Ethyl 2-[[2-(tert-butylamino)acetyl]-(2,2,2-trifluoroethyl)amino]acetate
CID 122625182
N-[1-[2-[(2-fluoroacetyl)amino]propoxy]propan-2-yl]carbamoyl fluoride
CID 131979484
Ethyl 2-[[2-(tert-butylamino)acetyl]-(1,2,2-trifluoroethyl)amino]acetate
CID 134229631
N-(1-amino-3-ethoxypropan-2-yl)-2,2,2-trifluoroacetamide
CID 156761445

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide (CID 54989201) is 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN(C)C(CN)C(F)(F)F.
What is the InChIKey of 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is OUUPQTXQWQEWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N3O2/c1-15(7(5-13)9(10,11)12)6-8(16)14-3-4-17-2/h7H,3-6,13H2,1-2H3,(H,14,16).
What are the key properties of 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide?
2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 257.26 g/mol, XLogP of -0.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 54989201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).