N-(2-methylbutan-2-yl)-2-(4-methylphenoxy)acetamide

C14H21NO2 — CID 50944675

IUPACN-(2-methylbutan-2-yl)-2-(4-methylphenoxy)acetamide
SMILESCCC(C)(C)NC(=O)COc1ccc(C)cc1
InChIInChI=1S/C14H21NO2/c1-5-14(3,4)15-13(16)10-17-12-8-6-11(2)7-9-12/h6-9H,5,10H2,1-4H3,(H,15,16)
InChIKeyVVHONLVZDIVEIK-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.68
Rot. Bonds5

About N-(2-methylbutan-2-yl)-2-(4-methylphenoxy)acetamide

N-(2-methylbutan-2-yl)-2-(4-methylphenoxy)acetamide (PubChem CID 50944675) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-(4-methylphenoxy)acetamide
PubChem CID50944675
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-(2-methylbutan-2-yl)-2-(4-methylphenoxy)acetamide
SMILESCCC(C)(C)NC(=O)COc1ccc(C)cc1
InChIInChI=1S/C14H21NO2/c1-5-14(3,4)15-13(16)10-17-12-8-6-11(2)7-9-12/h6-9H,5,10H2,1-4H3,(H,15,16)
InChIKeyVVHONLVZDIVEIK-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 47001155
4-methyl-4-[[2-(4-methylphenoxy)acetyl]amino]pentanoic acid
CID 62041332
N-(2-methylbutan-2-yl)-2-(4-nitrophenoxy)acetamide
CID 9012174
N-(2-methylbutan-2-yl)-2-[4-(propylaminomethyl)phenoxy]acetamide
CID 61486165
2-[(6-fluoro-3-pyridinyl)oxy]-N-(2-methylbutan-2-yl)acetamide
CID 115282956
4-methyl-2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzamide
CID 36578757
2-(4-ethoxyphenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43390531
2-(2-chloro-5-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 78770055
5-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 79794697
N-tert-butyl-2-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-2-oxoacetamide
CID 3108520
N'-[2-(4-methylphenoxy)acetyl]propanehydrazide
CID 4635692
N-(1-hydroxy-2-methylpropan-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 43390489

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-(4-methylphenoxy)acetamide (CID 50944675) is N-(2-methylbutan-2-yl)-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-(4-methylphenoxy)acetamide is CCC(C)(C)NC(=O)COc1ccc(C)cc1.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-(4-methylphenoxy)acetamide?
The InChIKey is VVHONLVZDIVEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-14(3,4)15-13(16)10-17-12-8-6-11(2)7-9-12/h6-9H,5,10H2,1-4H3,(H,15,16).
What are the key properties of N-(2-methylbutan-2-yl)-2-(4-methylphenoxy)acetamide?
N-(2-methylbutan-2-yl)-2-(4-methylphenoxy)acetamide has a molecular weight of 235.33 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 50944675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).