N-[2-[[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide

C22H25F3N2O3 — CID 108934086

IUPACN-[2-[[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide
SMILESCc1ccc(OCC(=O)NCc2ccccc2NC(=O)C(F)(F)F)c(C(C)(C)C)c1
InChIInChI=1S/C22H25F3N2O3/c1-14-9-10-18(16(11-14)21(2,3)4)30-13-19(28)26-12-15-7-5-6-8-17(15)27-20(29)22(23,24)25/h5-11H,12-13H2,1-4H3,(H,26,28)(H,27,29)
InChIKeyZBWWAMQOAKVYQF-UHFFFAOYSA-N
MW422.45 g/mol
LogP4.49
Rot. Bonds6

About N-[2-[[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide

N-[2-[[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide (PubChem CID 108934086) has the molecular formula C22H25F3N2O3 and a molecular weight of 422.45 g/mol. Its IUPAC name is N-[2-[[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-[[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide
PubChem CID108934086
Molecular FormulaC22H25F3N2O3
Molecular Weight422.45 g/mol
Exact Mass422.18
IUPAC NameN-[2-[[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide
SMILESCc1ccc(OCC(=O)NCc2ccccc2NC(=O)C(F)(F)F)c(C(C)(C)C)c1
InChIInChI=1S/C22H25F3N2O3/c1-14-9-10-18(16(11-14)21(2,3)4)30-13-19(28)26-12-15-7-5-6-8-17(15)27-20(29)22(23,24)25/h5-11H,12-13H2,1-4H3,(H,26,28)(H,27,29)
InChIKeyZBWWAMQOAKVYQF-UHFFFAOYSA-N
XLogP4.49
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-[[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide with MolForge

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Related Compounds

tert-butyl N-[3-[[2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]phenyl]methylamino]-3-oxopropyl]carbamate
CID 108920873
tert-butyl N-[2-[2-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]anilino]-2-oxoethyl]carbamate
CID 108917947
N-[2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]ethyl]-2-phenoxyacetamide
CID 108541189
methyl 2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]benzoate
CID 19169245
2-(2-tert-butyl-5-methylphenoxy)-N-(2-ethylphenyl)acetamide
CID 19168145
N-benzhydryl-2-(2-tert-butyl-4-methylphenoxy)acetamide
CID 19169265
3-methyl-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
CID 108934154
3-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]propanoic acid
CID 9157836
2-(4-bromo-2-tert-butylphenoxy)-N-[(2-chlorophenyl)methyl]acetamide
CID 17194203
2,2,2-trifluoro-N-[[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]phenyl]methyl]acetamide
CID 108934099
2-(2-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 54776459
2-(2-tert-butylphenoxy)-N-[(2-fluorophenyl)methyl]acetamide
CID 24536882

Frequently Asked Questions

What is the IUPAC name of N-[2-[[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-[[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide (CID 108934086) is N-[2-[[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-[[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-[[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide is Cc1ccc(OCC(=O)NCc2ccccc2NC(=O)C(F)(F)F)c(C(C)(C)C)c1.
What is the InChIKey of N-[2-[[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is ZBWWAMQOAKVYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O3/c1-14-9-10-18(16(11-14)21(2,3)4)30-13-19(28)26-12-15-7-5-6-8-17(15)27-20(29)22(23,24)25/h5-11H,12-13H2,1-4H3,(H,26,28)(H,27,29).
What are the key properties of N-[2-[[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide?
N-[2-[[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 422.45 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 108934086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).