2-(3-tert-butylphenoxy)-N-(2-methylpropyl)acetamide

C16H25NO2 — CID 112977536

IUPAC2-(3-tert-butylphenoxy)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)COc1cccc(C(C)(C)C)c1
InChIInChI=1S/C16H25NO2/c1-12(2)10-17-15(18)11-19-14-8-6-7-13(9-14)16(3,4)5/h6-9,12H,10-11H2,1-5H3,(H,17,18)
InChIKeyUBUUNOGJDOKLNM-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.14
Rot. Bonds5

About 2-(3-tert-butylphenoxy)-N-(2-methylpropyl)acetamide

2-(3-tert-butylphenoxy)-N-(2-methylpropyl)acetamide (PubChem CID 112977536) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(3-tert-butylphenoxy)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(3-tert-butylphenoxy)-N-(2-methylpropyl)acetamide
PubChem CID112977536
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(3-tert-butylphenoxy)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)COc1cccc(C(C)(C)C)c1
InChIInChI=1S/C16H25NO2/c1-12(2)10-17-15(18)11-19-14-8-6-7-13(9-14)16(3,4)5/h6-9,12H,10-11H2,1-5H3,(H,17,18)
InChIKeyUBUUNOGJDOKLNM-UHFFFAOYSA-N
XLogP3.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylpropyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 19170892
2-[3-(2-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 54930628
2-(3-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 112977555
2-(3-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 51141583
2-(3-tert-butylphenoxy)-N-[2-(1H-pyrrol-2-yl)ethyl]acetamide
CID 59225707
[2-(2-methylpropylamino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803778
2-(3-tert-butylphenoxy)-N-(2-ethylphenyl)acetamide
CID 112977620
2-(6-bromonaphthalen-2-yl)oxy-N-(2-methylpropyl)acetamide
CID 3989542
2-[4-(3-methyl-2-oxobutoxy)phenoxy]-N-(2-methylpropyl)acetamide
CID 23405136
2-(4-hydroxy-3-methylphenoxy)-N-(2-methylpropyl)acetamide;propane
CID 90980292
2-(3-tert-butylphenoxy)-N-(2,4-dimethylphenyl)acetamide
CID 112977615
2-(4-ethylphenoxy)-N-(2-methylpropyl)acetamide
CID 1120997

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylphenoxy)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(3-tert-butylphenoxy)-N-(2-methylpropyl)acetamide (CID 112977536) is 2-(3-tert-butylphenoxy)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(3-tert-butylphenoxy)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(3-tert-butylphenoxy)-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)COc1cccc(C(C)(C)C)c1.
What is the InChIKey of 2-(3-tert-butylphenoxy)-N-(2-methylpropyl)acetamide?
The InChIKey is UBUUNOGJDOKLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(2)10-17-15(18)11-19-14-8-6-7-13(9-14)16(3,4)5/h6-9,12H,10-11H2,1-5H3,(H,17,18).
What are the key properties of 2-(3-tert-butylphenoxy)-N-(2-methylpropyl)acetamide?
2-(3-tert-butylphenoxy)-N-(2-methylpropyl)acetamide has a molecular weight of 263.38 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylphenoxy)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 112977536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).