2-(4-tert-butylphenoxy)-N-(2-methylpropyl)propanamide

C17H27NO2 — CID 19204146

IUPAC2-(4-tert-butylphenoxy)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-12(2)11-18-16(19)13(3)20-15-9-7-14(8-10-15)17(4,5)6/h7-10,12-13H,11H2,1-6H3,(H,18,19)
InChIKeyCWTIRCRJELTHCY-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.52
Rot. Bonds5

About 2-(4-tert-butylphenoxy)-N-(2-methylpropyl)propanamide

2-(4-tert-butylphenoxy)-N-(2-methylpropyl)propanamide (PubChem CID 19204146) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-(2-methylpropyl)propanamide
PubChem CID19204146
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-(4-tert-butylphenoxy)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-12(2)11-18-16(19)13(3)20-15-9-7-14(8-10-15)17(4,5)6/h7-10,12-13H,11H2,1-6H3,(H,18,19)
InChIKeyCWTIRCRJELTHCY-UHFFFAOYSA-N
XLogP3.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-tert-butylphenoxy)-N-ethylpropanamide
CID 94033716
N-(3-amino-2-methylpropyl)-2-(4-tert-butylphenoxy)propanamide
CID 119997217
2-(4-methylphenoxy)-N-(2-methylpropyl)propanamide
CID 53282928
2-(4-ethylphenoxy)-N-(2-methylpropyl)propanamide
CID 60675159
2-(4-formylphenoxy)-N-(2-methylpropyl)propanamide
CID 43086482
(2R)-N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-2-phenoxypropanamide
CID 7318514
(2S)-N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-2-phenoxypropanamide
CID 7318513
2-(4-tert-butylphenoxy)-N-propan-2-ylpropanamide
CID 16620513
N'-[2-(4-tert-butylphenoxy)propanoyl]-3-methylbutanehydrazide
CID 46423863
2-(4-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 2960859
2-(4-tert-butylphenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide
CID 46422027
(2R)-2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)propanamide
CID 973402

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-(2-methylpropyl)propanamide (CID 19204146) is 2-(4-tert-butylphenoxy)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)Oc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-(2-methylpropyl)propanamide?
The InChIKey is CWTIRCRJELTHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12(2)11-18-16(19)13(3)20-15-9-7-14(8-10-15)17(4,5)6/h7-10,12-13H,11H2,1-6H3,(H,18,19).
What are the key properties of 2-(4-tert-butylphenoxy)-N-(2-methylpropyl)propanamide?
2-(4-tert-butylphenoxy)-N-(2-methylpropyl)propanamide has a molecular weight of 277.41 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 19204146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).