2-methyl-2-(propan-2-ylamino)-3-(2,3,5,6-tetrafluorophenoxy)propanamide

C13H16F4N2O2 — CID 103290137

IUPAC2-methyl-2-(propan-2-ylamino)-3-(2,3,5,6-tetrafluorophenoxy)propanamide
SMILESCC(C)NC(C)(COc1c(F)c(F)cc(F)c1F)C(N)=O
InChIInChI=1S/C13H16F4N2O2/c1-6(2)19-13(3,12(18)20)5-21-11-9(16)7(14)4-8(15)10(11)17/h4,6,19H,5H2,1-3H3,(H2,18,20)
InChIKeyGTMOQUMCSUNNBB-UHFFFAOYSA-N
MW308.28 g/mol
LogP1.86
Rot. Bonds6

About 2-methyl-2-(propan-2-ylamino)-3-(2,3,5,6-tetrafluorophenoxy)propanamide

2-methyl-2-(propan-2-ylamino)-3-(2,3,5,6-tetrafluorophenoxy)propanamide (PubChem CID 103290137) has the molecular formula C13H16F4N2O2 and a molecular weight of 308.28 g/mol. Its IUPAC name is 2-methyl-2-(propan-2-ylamino)-3-(2,3,5,6-tetrafluorophenoxy)propanamide.

Molecular Properties

Compound Name2-methyl-2-(propan-2-ylamino)-3-(2,3,5,6-tetrafluorophenoxy)propanamide
PubChem CID103290137
Molecular FormulaC13H16F4N2O2
Molecular Weight308.28 g/mol
Exact Mass308.11
IUPAC Name2-methyl-2-(propan-2-ylamino)-3-(2,3,5,6-tetrafluorophenoxy)propanamide
SMILESCC(C)NC(C)(COc1c(F)c(F)cc(F)c1F)C(N)=O
InChIInChI=1S/C13H16F4N2O2/c1-6(2)19-13(3,12(18)20)5-21-11-9(16)7(14)4-8(15)10(11)17/h4,6,19H,5H2,1-3H3,(H2,18,20)
InChIKeyGTMOQUMCSUNNBB-UHFFFAOYSA-N
XLogP1.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.28
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2-methyl-2-(propan-2-ylamino)-3-(2,3,5,6-tetrafluorophenoxy)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

2-(cyclopropylamino)-2-methyl-3-(2,3,5,6-tetrafluorophenoxy)propanamide
CID 103290058
2-methyl-2-(methylamino)-3-(2,3,5,6-tetrafluorophenoxy)propanoic acid
CID 103290156
3-(3,5-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)propanoic acid
CID 62786393
3-(2,5-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)propanoic acid
CID 63272894
2-(2,3,5,6-tetrafluorophenoxy)acetamide
CID 2544338
(2R)-1-(2,3,5,6-tetrafluorophenoxy)propan-2-amine
CID 103289142
1,2,4,5-tetrafluoro-3-(2-methylpropoxy)benzene
CID 58298374
4-(4-fluorophenoxy)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 64706234
methyl 4-hydroxy-3-methyl-5-(2,3,5,6-tetrafluorophenoxy)pentanoate
CID 145399399
methyl 2-acetamido-3-(2,3,5,6-tetrafluorophenoxy)propanoate
CID 103288839
2,2-dimethyl-3-(2,3,5,6-tetrafluorophenoxy)propane-1-thiol
CID 103290616
4-methoxy-2,4-dimethyl-2-(propan-2-ylamino)pentanamide
CID 60788184

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propan-2-ylamino)-3-(2,3,5,6-tetrafluorophenoxy)propanamide?
The IUPAC name of 2-methyl-2-(propan-2-ylamino)-3-(2,3,5,6-tetrafluorophenoxy)propanamide (CID 103290137) is 2-methyl-2-(propan-2-ylamino)-3-(2,3,5,6-tetrafluorophenoxy)propanamide.
What is the SMILES notation for 2-methyl-2-(propan-2-ylamino)-3-(2,3,5,6-tetrafluorophenoxy)propanamide?
The canonical SMILES for 2-methyl-2-(propan-2-ylamino)-3-(2,3,5,6-tetrafluorophenoxy)propanamide is CC(C)NC(C)(COc1c(F)c(F)cc(F)c1F)C(N)=O.
What is the InChIKey of 2-methyl-2-(propan-2-ylamino)-3-(2,3,5,6-tetrafluorophenoxy)propanamide?
The InChIKey is GTMOQUMCSUNNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4N2O2/c1-6(2)19-13(3,12(18)20)5-21-11-9(16)7(14)4-8(15)10(11)17/h4,6,19H,5H2,1-3H3,(H2,18,20).
What are the key properties of 2-methyl-2-(propan-2-ylamino)-3-(2,3,5,6-tetrafluorophenoxy)propanamide?
2-methyl-2-(propan-2-ylamino)-3-(2,3,5,6-tetrafluorophenoxy)propanamide has a molecular weight of 308.28 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propan-2-ylamino)-3-(2,3,5,6-tetrafluorophenoxy)propanamide is sourced from PubChem (CID 103290137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).