2-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)acetamide

C14H21NO2 — CID 112604896

IUPAC2-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)acetamide
SMILESCC(C)(C)OCC(=O)NCCc1ccccc1
InChIInChI=1S/C14H21NO2/c1-14(2,3)17-11-13(16)15-10-9-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H,15,16)
InChIKeyCCFNHZOTFBBMST-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.16
Rot. Bonds5

About 2-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)acetamide

2-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)acetamide (PubChem CID 112604896) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)acetamide
PubChem CID112604896
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)acetamide
SMILESCC(C)(C)OCC(=O)NCCc1ccccc1
InChIInChI=1S/C14H21NO2/c1-14(2,3)17-11-13(16)15-10-9-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H,15,16)
InChIKeyCCFNHZOTFBBMST-UHFFFAOYSA-N
XLogP2.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-hydroxyphenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602898
2-[(2-methylpropan-2-yl)oxy]-N-(2-pyridin-3-ylethyl)acetamide
CID 112605093
tert-butyl 4-oxo-4-(2-phenylethylamino)butanoate
CID 106706933
tert-butyl N-(2-phenylethyl)carbamate;ethane
CID 177159157
methyl 3-oxo-3-(2-phenylethylamino)propanoate
CID 15006667
(3S)-3,4,4-trimethyl-N-(2-phenylethyl)pentanamide
CID 97019359
2-methyl-2-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]propanoic acid
CID 65263855
2-hydroxy-2-methyl-N-(2-phenylethyl)propanamide
CID 71525164
2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]-2-phenylpropanoic acid
CID 115949251
2-[(2-methylpropan-2-yl)oxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide
CID 134170006
[2-oxo-2-(2-phenylethylamino)ethyl] 3-methylbut-2-enoate
CID 8760100
4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)acetamide (CID 112604896) is 2-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)acetamide is CC(C)(C)OCC(=O)NCCc1ccccc1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)acetamide?
The InChIKey is CCFNHZOTFBBMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-14(2,3)17-11-13(16)15-10-9-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H,15,16).
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)acetamide?
2-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)acetamide has a molecular weight of 235.33 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 112604896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).