4-(4-tert-butylphenoxy)-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]butanamide

C18H26F3NO3 — CID 97247433

IUPAC4-(4-tert-butylphenoxy)-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]butanamide
SMILESCC(C)(C)c1ccc(OCCCC(=O)NC[C@@](C)(O)C(F)(F)F)cc1
InChIInChI=1S/C18H26F3NO3/c1-16(2,3)13-7-9-14(10-8-13)25-11-5-6-15(23)22-12-17(4,24)18(19,20)21/h7-10,24H,5-6,11-12H2,1-4H3,(H,22,23)/t17-/m1/s1
InChIKeyXWQRSZSOWMSKOE-QGZVFWFLSA-N
MW361.40 g/mol
LogP3.57
Rot. Bonds7

About 4-(4-tert-butylphenoxy)-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]butanamide

4-(4-tert-butylphenoxy)-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]butanamide (PubChem CID 97247433) has the molecular formula C18H26F3NO3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 4-(4-tert-butylphenoxy)-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]butanamide.

Molecular Properties

Compound Name4-(4-tert-butylphenoxy)-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]butanamide
PubChem CID97247433
Molecular FormulaC18H26F3NO3
Molecular Weight361.40 g/mol
Exact Mass361.19
IUPAC Name4-(4-tert-butylphenoxy)-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]butanamide
SMILESCC(C)(C)c1ccc(OCCCC(=O)NC[C@@](C)(O)C(F)(F)F)cc1
InChIInChI=1S/C18H26F3NO3/c1-16(2,3)13-7-9-14(10-8-13)25-11-5-6-15(23)22-12-17(4,24)18(19,20)21/h7-10,24H,5-6,11-12H2,1-4H3,(H,22,23)/t17-/m1/s1
InChIKeyXWQRSZSOWMSKOE-QGZVFWFLSA-N
XLogP3.57
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.57
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

N-(2-amino-2-methylpropyl)-4-(4-tert-butylphenoxy)butanamide
CID 119626635
4-(4-tert-butylphenoxy)-N-pentylbutanamide
CID 19173675
methyl 3-[4-(4-tert-butylphenoxy)butanoylamino]propanoate
CID 78773025
3-(4-tert-butylphenoxy)-N-ethylpropanamide
CID 60630698
N-(2-amino-2-methylpropyl)-4-(4-methoxyphenoxy)butanamide
CID 119625857
N-(2,2-difluoro-3-hydroxypropyl)-4-(4-methylphenoxy)butanamide
CID 104857867
4-(4-tert-butylphenoxy)butanamide
CID 82041345
N-[2-[4-(4-tert-butylphenoxy)butanoylamino]ethyl]cyclopropanecarboxamide
CID 51153172
4-(4-tert-butylphenoxy)-N-(2-pyridin-2-ylethyl)butanamide
CID 78784602
N-(4-butoxyphenyl)-4-(4-tert-butylphenoxy)butanamide
CID 19173570
4-(4-fluorophenoxy)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide
CID 111481140
N-(2,3-dihydroxy-2-methylpropyl)-4-phenoxybutanamide
CID 66168988

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenoxy)-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]butanamide?
The IUPAC name of 4-(4-tert-butylphenoxy)-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]butanamide (CID 97247433) is 4-(4-tert-butylphenoxy)-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]butanamide.
What is the SMILES notation for 4-(4-tert-butylphenoxy)-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]butanamide?
The canonical SMILES for 4-(4-tert-butylphenoxy)-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]butanamide is CC(C)(C)c1ccc(OCCCC(=O)NC[C@@](C)(O)C(F)(F)F)cc1.
What is the InChIKey of 4-(4-tert-butylphenoxy)-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]butanamide?
The InChIKey is XWQRSZSOWMSKOE-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H26F3NO3/c1-16(2,3)13-7-9-14(10-8-13)25-11-5-6-15(23)22-12-17(4,24)18(19,20)21/h7-10,24H,5-6,11-12H2,1-4H3,(H,22,23)/t17-/m1/s1.
What are the key properties of 4-(4-tert-butylphenoxy)-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]butanamide?
4-(4-tert-butylphenoxy)-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]butanamide has a molecular weight of 361.40 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenoxy)-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]butanamide is sourced from PubChem (CID 97247433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).