2-(methylamino)-2-phenyl-3-(3,3,3-trifluoropropoxy)propanamide

C13H17F3N2O2 — CID 82957265

IUPAC2-(methylamino)-2-phenyl-3-(3,3,3-trifluoropropoxy)propanamide
SMILESCNC(COCCC(F)(F)F)(C(N)=O)c1ccccc1
InChIInChI=1S/C13H17F3N2O2/c1-18-12(11(17)19,10-5-3-2-4-6-10)9-20-8-7-13(14,15)16/h2-6,18H,7-9H2,1H3,(H2,17,19)
InChIKeyZLUBCMMTPITSEA-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.56
Rot. Bonds7

About 2-(methylamino)-2-phenyl-3-(3,3,3-trifluoropropoxy)propanamide

2-(methylamino)-2-phenyl-3-(3,3,3-trifluoropropoxy)propanamide (PubChem CID 82957265) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.28 g/mol. Its IUPAC name is 2-(methylamino)-2-phenyl-3-(3,3,3-trifluoropropoxy)propanamide.

Molecular Properties

Compound Name2-(methylamino)-2-phenyl-3-(3,3,3-trifluoropropoxy)propanamide
PubChem CID82957265
Molecular FormulaC13H17F3N2O2
Molecular Weight290.28 g/mol
Exact Mass290.12
IUPAC Name2-(methylamino)-2-phenyl-3-(3,3,3-trifluoropropoxy)propanamide
SMILESCNC(COCCC(F)(F)F)(C(N)=O)c1ccccc1
InChIInChI=1S/C13H17F3N2O2/c1-18-12(11(17)19,10-5-3-2-4-6-10)9-20-8-7-13(14,15)16/h2-6,18H,7-9H2,1H3,(H2,17,19)
InChIKeyZLUBCMMTPITSEA-UHFFFAOYSA-N
XLogP1.56
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(methylamino)-2-phenyl-4-(2,2,2-trifluoroethoxy)butanoic acid
CID 116694249
4-(2-ethoxyethoxy)-2-(methylamino)-2-phenylbutanamide
CID 116694151
3-(3,3-dimethylbutoxy)-2-(methylamino)-2-phenylpropanoic acid
CID 66224522
methyl 2-amino-2-phenyl-3-(3,3,3-trifluoropropoxy)propanoate
CID 82958729
2-(ethylamino)-2-phenyl-4-(2,2,2-trifluoroethoxy)butanoic acid
CID 116694252
ethyl 3-(2,2-difluoroethoxy)-2-(methylamino)-2-phenylpropanoate
CID 82006590
2-(methylamino)-4-(4-methylpentoxy)-2-phenylbutanoic acid
CID 116694125
methyl 2-(methylamino)-4-pentoxy-2-phenylbutanoate
CID 116694335
2-(methylamino)-4-[methyl(2-methylpropyl)amino]-2-phenylbutanamide
CID 116693625
2-(cyclopropylamino)-2-phenyl-4-propoxybutanamide
CID 116694311
2-(methylamino)-2-phenyl-4-pyridin-4-ylsulfanylbutanamide
CID 116694816
methyl 3-(2-cyclobutylethoxy)-2-(methylamino)-2-phenylpropanoate
CID 106204595

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-2-phenyl-3-(3,3,3-trifluoropropoxy)propanamide?
The IUPAC name of 2-(methylamino)-2-phenyl-3-(3,3,3-trifluoropropoxy)propanamide (CID 82957265) is 2-(methylamino)-2-phenyl-3-(3,3,3-trifluoropropoxy)propanamide.
What is the SMILES notation for 2-(methylamino)-2-phenyl-3-(3,3,3-trifluoropropoxy)propanamide?
The canonical SMILES for 2-(methylamino)-2-phenyl-3-(3,3,3-trifluoropropoxy)propanamide is CNC(COCCC(F)(F)F)(C(N)=O)c1ccccc1.
What is the InChIKey of 2-(methylamino)-2-phenyl-3-(3,3,3-trifluoropropoxy)propanamide?
The InChIKey is ZLUBCMMTPITSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-18-12(11(17)19,10-5-3-2-4-6-10)9-20-8-7-13(14,15)16/h2-6,18H,7-9H2,1H3,(H2,17,19).
What are the key properties of 2-(methylamino)-2-phenyl-3-(3,3,3-trifluoropropoxy)propanamide?
2-(methylamino)-2-phenyl-3-(3,3,3-trifluoropropoxy)propanamide has a molecular weight of 290.28 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-2-phenyl-3-(3,3,3-trifluoropropoxy)propanamide is sourced from PubChem (CID 82957265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).