2-(4-cyano-2,6-dimethylphenoxy)-N-(1-methoxypropan-2-yl)acetamide

C15H20N2O3 — CID 65472855

IUPAC2-(4-cyano-2,6-dimethylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)COc1c(C)cc(C#N)cc1C
InChIInChI=1S/C15H20N2O3/c1-10-5-13(7-16)6-11(2)15(10)20-9-14(18)17-12(3)8-19-4/h5-6,12H,8-9H2,1-4H3,(H,17,18)
InChIKeyULWPTFLMEVYUBC-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.71
Rot. Bonds6

About 2-(4-cyano-2,6-dimethylphenoxy)-N-(1-methoxypropan-2-yl)acetamide

2-(4-cyano-2,6-dimethylphenoxy)-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 65472855) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(4-cyano-2,6-dimethylphenoxy)-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-cyano-2,6-dimethylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
PubChem CID65472855
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-(4-cyano-2,6-dimethylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)COc1c(C)cc(C#N)cc1C
InChIInChI=1S/C15H20N2O3/c1-10-5-13(7-16)6-11(2)15(10)20-9-14(18)17-12(3)8-19-4/h5-6,12H,8-9H2,1-4H3,(H,17,18)
InChIKeyULWPTFLMEVYUBC-UHFFFAOYSA-N
XLogP1.71
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyano-2,6-dimethylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 65472856
2-(5-cyano-2-methylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 103760436
N-[1-(4-cyano-2,6-dimethylphenoxy)propan-2-yl]acetamide
CID 165436416
2-(3-cyanophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 9113198
N-carbamoyl-2-(4-cyano-2,6-dimethylphenoxy)acetamide
CID 65472840
2-(4-cyano-2,6-dimethylphenoxy)acetic acid
CID 65455986
2-(3-amino-2,6-dimethylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 62018700
2-(2-cyanophenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 24691899
2-(4-cyano-2,6-dimethylphenoxy)-N-cyclopentylacetamide
CID 65473029
2-(4-cyano-2,6-dimethylphenoxy)-N-phenylacetamide
CID 65471325
methyl 3-(4-cyano-2,6-dimethylphenoxy)propanoate
CID 65454282
2-(4-cyano-2,6-dimethylphenoxy)-N-cyclohexylacetamide
CID 65470752

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2,6-dimethylphenoxy)-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-(4-cyano-2,6-dimethylphenoxy)-N-(1-methoxypropan-2-yl)acetamide (CID 65472855) is 2-(4-cyano-2,6-dimethylphenoxy)-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(4-cyano-2,6-dimethylphenoxy)-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-(4-cyano-2,6-dimethylphenoxy)-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)COc1c(C)cc(C#N)cc1C.
What is the InChIKey of 2-(4-cyano-2,6-dimethylphenoxy)-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is ULWPTFLMEVYUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-5-13(7-16)6-11(2)15(10)20-9-14(18)17-12(3)8-19-4/h5-6,12H,8-9H2,1-4H3,(H,17,18).
What are the key properties of 2-(4-cyano-2,6-dimethylphenoxy)-N-(1-methoxypropan-2-yl)acetamide?
2-(4-cyano-2,6-dimethylphenoxy)-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 276.34 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2,6-dimethylphenoxy)-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 65472855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).