2-(4-tert-butylphenoxy)-N-propan-2-ylpropanamide

C16H25NO2 — CID 16620513

IUPAC2-(4-tert-butylphenoxy)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H25NO2/c1-11(2)17-15(18)12(3)19-14-9-7-13(8-10-14)16(4,5)6/h7-12H,1-6H3,(H,17,18)
InChIKeyBPDFYOLFIDNCSW-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.28
Rot. Bonds4

About 2-(4-tert-butylphenoxy)-N-propan-2-ylpropanamide

2-(4-tert-butylphenoxy)-N-propan-2-ylpropanamide (PubChem CID 16620513) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-propan-2-ylpropanamide
PubChem CID16620513
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(4-tert-butylphenoxy)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H25NO2/c1-11(2)17-15(18)12(3)19-14-9-7-13(8-10-14)16(4,5)6/h7-12H,1-6H3,(H,17,18)
InChIKeyBPDFYOLFIDNCSW-UHFFFAOYSA-N
XLogP3.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-fluorophenoxy)-N-propan-2-ylpropanamide
CID 94335659
(2R)-2-(4-tert-butylphenoxy)-N-ethylpropanamide
CID 94033716
2-(4-tert-butylphenoxy)-N-(2-methylpropyl)propanamide
CID 19204146
2-(4-tert-butylphenoxy)-N-cycloheptylpropanamide
CID 19203440
[2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-(4-tert-butylphenoxy)propanoate
CID 8984743
N-[1-(4-tert-butylphenyl)ethyl]-2-phenoxypropanamide
CID 132651097
[(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] (2R)-2-(4-tert-butylphenoxy)propanoate
CID 9061605
3-[2-(4-tert-butylphenoxy)propanoylamino]-N-propan-2-ylbenzamide
CID 17197514
(2R)-2-(4-tert-butylphenoxy)-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide
CID 100554032
(2S)-2-(4-tert-butylphenoxy)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]propanamide
CID 38001892
2-[4-[1-(methylamino)ethyl]phenoxy]-N-propan-2-ylpropanamide
CID 43279209
2-(4-tert-butylphenoxy)propanoate
CID 71431991

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-propan-2-ylpropanamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-propan-2-ylpropanamide (CID 16620513) is 2-(4-tert-butylphenoxy)-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-propan-2-ylpropanamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)Oc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-propan-2-ylpropanamide?
The InChIKey is BPDFYOLFIDNCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11(2)17-15(18)12(3)19-14-9-7-13(8-10-14)16(4,5)6/h7-12H,1-6H3,(H,17,18).
What are the key properties of 2-(4-tert-butylphenoxy)-N-propan-2-ylpropanamide?
2-(4-tert-butylphenoxy)-N-propan-2-ylpropanamide has a molecular weight of 263.38 g/mol, XLogP of 3.28, 4 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-propan-2-ylpropanamide is sourced from PubChem (CID 16620513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).