N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide

C13H25F3N2O2 — CID 86846759

IUPACN-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(C)CC(CN(C)C)NC(=O)C(C)OCC(F)(F)F
InChIInChI=1S/C13H25F3N2O2/c1-9(2)6-11(7-18(4)5)17-12(19)10(3)20-8-13(14,15)16/h9-11H,6-8H2,1-5H3,(H,17,19)
InChIKeySSOKTGMROSCRMV-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.05
Rot. Bonds8

About N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide

N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 86846759) has the molecular formula C13H25F3N2O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID86846759
Molecular FormulaC13H25F3N2O2
Molecular Weight298.35 g/mol
Exact Mass298.19
IUPAC NameN-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(C)CC(CN(C)C)NC(=O)C(C)OCC(F)(F)F
InChIInChI=1S/C13H25F3N2O2/c1-9(2)6-11(7-18(4)5)17-12(19)10(3)20-8-13(14,15)16/h9-11H,6-8H2,1-5H3,(H,17,19)
InChIKeySSOKTGMROSCRMV-UHFFFAOYSA-N
XLogP2.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(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

Related Compounds

N-[2-(diethylamino)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 47031323
N-[2-(dimethylamino)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 47031333
2-methyl-N-[2-[2-(2,2,2-trifluoroethoxy)propanoylamino]ethyl]propanamide
CID 47031355
(5R)-2,2-difluoro-5-methyl-6-propan-2-ylmorpholin-3-one
CID 145652599
N-cyclopentyl-2-(2,2,2-trifluoroethoxy)propanamide
CID 45887372
N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 45887868
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 47031340
N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 47031359
N-(4-methyl-2-morpholin-4-ylpentyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 47031382
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 47031581
N-(2-morpholin-4-ylpropyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 47031584
ethyl N-[4-methyl-1-[2-(2,2,2-trifluoroethoxy)propanoylamino]pentan-2-yl]carbamate
CID 47031603

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide (CID 86846759) is N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide is CC(C)CC(CN(C)C)NC(=O)C(C)OCC(F)(F)F.
What is the InChIKey of N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is SSOKTGMROSCRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O2/c1-9(2)6-11(7-18(4)5)17-12(19)10(3)20-8-13(14,15)16/h9-11H,6-8H2,1-5H3,(H,17,19).
What are the key properties of N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide?
N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 298.35 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 86846759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).