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

C12H17NO2 — CID 681895

IUPAC2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(N)=O)c1
InChIInChI=1S/C12H17NO2/c1-8(2)10-5-4-9(3)6-11(10)15-7-12(13)14/h4-6,8H,7H2,1-3H3,(H2,13,14)
InChIKeyUNKPGIAYYFAPKK-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.98
Rot. Bonds4

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

2-(5-methyl-2-propan-2-ylphenoxy)acetamide (PubChem CID 681895) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-(5-methyl-2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound Name2-(5-methyl-2-propan-2-ylphenoxy)acetamide
PubChem CID681895
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(N)=O)c1
InChIInChI=1S/C12H17NO2/c1-8(2)10-5-4-9(3)6-11(10)15-7-12(13)14/h4-6,8H,7H2,1-3H3,(H2,13,14)
InChIKeyUNKPGIAYYFAPKK-UHFFFAOYSA-N
XLogP1.98
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]acetamide
CID 78946963
propan-2-yl 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 54941393
(3,5-dimethylphenyl) 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 680450
N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)-N-propan-2-ylacetamide
CID 86907722
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)acetamide
CID 18823962
methyl 2-methyl-3-(5-methyl-2-propan-2-ylphenoxy)propanoate
CID 43537579
(3,5-dimethoxyphenyl) 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 8758790
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 921036
3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 16618761
(2R)-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-propylpropanamide
CID 7581934
2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 47095241
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 78759979

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)acetamide (CID 681895) is 2-(5-methyl-2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for 2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for 2-(5-methyl-2-propan-2-ylphenoxy)acetamide is Cc1ccc(C(C)C)c(OCC(N)=O)c1.
What is the InChIKey of 2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The InChIKey is UNKPGIAYYFAPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8(2)10-5-4-9(3)6-11(10)15-7-12(13)14/h4-6,8H,7H2,1-3H3,(H2,13,14).
What are the key properties of 2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
2-(5-methyl-2-propan-2-ylphenoxy)acetamide has a molecular weight of 207.27 g/mol, XLogP of 1.98, 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)acetamide is sourced from PubChem (CID 681895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).