2-(5-methyl-2-propan-2-ylphenoxy)propanamide

C13H19NO2 — CID 47095241

IUPAC2-(5-methyl-2-propan-2-ylphenoxy)propanamide
SMILESCc1ccc(C(C)C)c(OC(C)C(N)=O)c1
InChIInChI=1S/C13H19NO2/c1-8(2)11-6-5-9(3)7-12(11)16-10(4)13(14)15/h5-8,10H,1-4H3,(H2,14,15)
InChIKeyMRCQWUYCKMYELL-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.37
Rot. Bonds4

About 2-(5-methyl-2-propan-2-ylphenoxy)propanamide

2-(5-methyl-2-propan-2-ylphenoxy)propanamide (PubChem CID 47095241) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(5-methyl-2-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound Name2-(5-methyl-2-propan-2-ylphenoxy)propanamide
PubChem CID47095241
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-(5-methyl-2-propan-2-ylphenoxy)propanamide
SMILESCc1ccc(C(C)C)c(OC(C)C(N)=O)c1
InChIInChI=1S/C13H19NO2/c1-8(2)11-6-5-9(3)7-12(11)16-10(4)13(14)15/h5-8,10H,1-4H3,(H2,14,15)
InChIKeyMRCQWUYCKMYELL-UHFFFAOYSA-N
XLogP2.37
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-methyl-2-propan-2-ylphenoxy)pentan-3-one
CID 64866513
(2R)-N-[(2R)-3-methylbutan-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 100572381
2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 47095242
ethyl (5-methyl-2-propan-2-ylphenyl) carbonate
CID 162444144
2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 681895
2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]propanoic acid
CID 78946999
(2S)-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)-N-phenylpropanamide
CID 94840107
2-(5-methyl-2-propan-2-ylphenoxy)-N-prop-2-ynylpropanamide
CID 134038041
2-(5-methyl-2-propan-2-ylphenoxy)-1-piperazin-1-ylpropan-1-one
CID 24696652
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propanamide
CID 78759978
(2R)-1-[(3S)-3-aminopyrrolidin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propan-1-one
CID 124588788
2-[2-(5-methyl-2-propan-2-ylphenoxy)propanoylamino]butanoic acid
CID 119223242

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
The IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)propanamide (CID 47095241) is 2-(5-methyl-2-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for 2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
The canonical SMILES for 2-(5-methyl-2-propan-2-ylphenoxy)propanamide is Cc1ccc(C(C)C)c(OC(C)C(N)=O)c1.
What is the InChIKey of 2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
The InChIKey is MRCQWUYCKMYELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-8(2)11-6-5-9(3)7-12(11)16-10(4)13(14)15/h5-8,10H,1-4H3,(H2,14,15).
What are the key properties of 2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
2-(5-methyl-2-propan-2-ylphenoxy)propanamide has a molecular weight of 221.30 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 47095241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).