N-(1,1-dimethoxypropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide

C9H17F3N2O3 — CID 79260579

IUPACN-(1,1-dimethoxypropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCOC(OC)C(C)NC(=O)CNCC(F)(F)F
InChIInChI=1S/C9H17F3N2O3/c1-6(8(16-2)17-3)14-7(15)4-13-5-9(10,11)12/h6,8,13H,4-5H2,1-3H3,(H,14,15)
InChIKeyDGWDFJKOMOBZAY-UHFFFAOYSA-N
MW258.24 g/mol
LogP0.26
Rot. Bonds7

About N-(1,1-dimethoxypropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(1,1-dimethoxypropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 79260579) has the molecular formula C9H17F3N2O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is N-(1,1-dimethoxypropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(1,1-dimethoxypropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID79260579
Molecular FormulaC9H17F3N2O3
Molecular Weight258.24 g/mol
Exact Mass258.12
IUPAC NameN-(1,1-dimethoxypropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCOC(OC)C(C)NC(=O)CNCC(F)(F)F
InChIInChI=1S/C9H17F3N2O3/c1-6(8(16-2)17-3)14-7(15)4-13-5-9(10,11)12/h6,8,13H,4-5H2,1-3H3,(H,14,15)
InChIKeyDGWDFJKOMOBZAY-UHFFFAOYSA-N
XLogP0.26
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(1,1-dimethoxypropan-2-yl)-2-(2,2,2-trifluoroethylamino)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-methoxyethyl)-2-(2,2,2-trifluoroethylamino)propanamide
CID 43089172
Ethyl 2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanoate
CID 54960690
2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 54989201
2-[(4-amino-1,1,1-trifluorobutan-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 54989313
N-pentan-3-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide
CID 55031816
N,N-diethyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide
CID 55031854
N-pentan-3-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide
CID 55261840
N-butan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide
CID 55261842
N-(1-methoxypropan-2-yl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide
CID 55262034
N-cyclopropyl-2-[2-methoxyethyl(2,2,2-trifluoroethyl)amino]acetamide
CID 60303341
2-(1-methoxypropan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60648283
N-(1-methoxypropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 60690767

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dimethoxypropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(1,1-dimethoxypropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 79260579) is N-(1,1-dimethoxypropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(1,1-dimethoxypropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(1,1-dimethoxypropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide is COC(OC)C(C)NC(=O)CNCC(F)(F)F.
What is the InChIKey of N-(1,1-dimethoxypropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is DGWDFJKOMOBZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O3/c1-6(8(16-2)17-3)14-7(15)4-13-5-9(10,11)12/h6,8,13H,4-5H2,1-3H3,(H,14,15).
What are the key properties of N-(1,1-dimethoxypropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(1,1-dimethoxypropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 258.24 g/mol, XLogP of 0.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dimethoxypropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 79260579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).