2-methoxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide

C12H14F3NO2 — CID 18709942

IUPAC2-methoxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCOC(C)(C)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO2/c1-11(2,18-3)10(17)16-9-6-4-8(5-7-9)12(13,14)15/h4-7H,1-3H3,(H,16,17)
InChIKeyXENUIDHQMGHGER-UHFFFAOYSA-N
MW261.24 g/mol
LogP3.07
Rot. Bonds3

About 2-methoxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide

2-methoxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 18709942) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 2-methoxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-methoxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID18709942
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name2-methoxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCOC(C)(C)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO2/c1-11(2,18-3)10(17)16-9-6-4-8(5-7-9)12(13,14)15/h4-7H,1-3H3,(H,16,17)
InChIKeyXENUIDHQMGHGER-UHFFFAOYSA-N
XLogP3.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(4-formylphenyl)-2-methoxy-2-methylpropanamide
CID 106912194
2-(ethylamino)-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide
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2-[4-[(2-methoxy-2-methylpropanoyl)amino]phenyl]acetic acid
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N-[4-(2-hydroxyethyl)phenyl]-2-methoxy-2-methylpropanamide
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N-methyl-N'-[4-(trifluoromethyl)phenyl]oxamide
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CID 112980946
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CID 108968722

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-methoxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide (CID 18709942) is 2-methoxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-methoxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-methoxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide is COC(C)(C)C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methoxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is XENUIDHQMGHGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-11(2,18-3)10(17)16-9-6-4-8(5-7-9)12(13,14)15/h4-7H,1-3H3,(H,16,17).
What are the key properties of 2-methoxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide?
2-methoxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 261.24 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 18709942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).