2-(4-acetyl-2-methylphenoxy)-N-cyclopropylacetamide

C14H17NO3 — CID 113231478

IUPAC2-(4-acetyl-2-methylphenoxy)-N-cyclopropylacetamide
SMILESCC(=O)c1ccc(OCC(=O)NC2CC2)c(C)c1
InChIInChI=1S/C14H17NO3/c1-9-7-11(10(2)16)3-6-13(9)18-8-14(17)15-12-4-5-12/h3,6-7,12H,4-5,8H2,1-2H3,(H,15,17)
InChIKeyNEQDIYIDVBSGRW-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.86
Rot. Bonds5

About 2-(4-acetyl-2-methylphenoxy)-N-cyclopropylacetamide

2-(4-acetyl-2-methylphenoxy)-N-cyclopropylacetamide (PubChem CID 113231478) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-(4-acetyl-2-methylphenoxy)-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-methylphenoxy)-N-cyclopropylacetamide
PubChem CID113231478
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-(4-acetyl-2-methylphenoxy)-N-cyclopropylacetamide
SMILESCC(=O)c1ccc(OCC(=O)NC2CC2)c(C)c1
InChIInChI=1S/C14H17NO3/c1-9-7-11(10(2)16)3-6-13(9)18-8-14(17)15-12-4-5-12/h3,6-7,12H,4-5,8H2,1-2H3,(H,15,17)
InChIKeyNEQDIYIDVBSGRW-UHFFFAOYSA-N
XLogP1.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetyl-2-methoxyphenoxy)-N-cyclooctylacetamide
CID 7962262
N-(4-aminocyclohexyl)-2-(2,4-dimethylphenoxy)acetamide
CID 119477487
2-(4-chloro-2-methylphenoxy)-N-[(3S,4R)-3,4-dihydroxycyclopentyl]acetamide
CID 166269611
N-cyclopropyl-2-(2,5-dimethylphenoxy)acetamide
CID 4113350
2-(5-carbamothioyl-2-methylphenoxy)-N-cyclopropylacetamide
CID 107656439
2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-cyclopropylacetamide
CID 3634459
2-(5-bromo-2-methylphenoxy)-N-cyclopropylacetamide
CID 107284188
2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-methylamino]-N-cyclopropylacetamide
CID 18093332
2-(4-acetylphenoxy)-N-cyclohexylacetamide
CID 2621514
N-cyclopropyl-2-[2-(hydroxymethyl)-4-methylphenoxy]acetamide
CID 63325684
2-(4-acetyl-2-methylphenoxy)-N-(3-methoxypropyl)acetamide
CID 115610415
2-(3-acetylphenoxy)-N-cyclohexylacetamide
CID 2708999

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-methylphenoxy)-N-cyclopropylacetamide?
The IUPAC name of 2-(4-acetyl-2-methylphenoxy)-N-cyclopropylacetamide (CID 113231478) is 2-(4-acetyl-2-methylphenoxy)-N-cyclopropylacetamide.
What is the SMILES notation for 2-(4-acetyl-2-methylphenoxy)-N-cyclopropylacetamide?
The canonical SMILES for 2-(4-acetyl-2-methylphenoxy)-N-cyclopropylacetamide is CC(=O)c1ccc(OCC(=O)NC2CC2)c(C)c1.
What is the InChIKey of 2-(4-acetyl-2-methylphenoxy)-N-cyclopropylacetamide?
The InChIKey is NEQDIYIDVBSGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-9-7-11(10(2)16)3-6-13(9)18-8-14(17)15-12-4-5-12/h3,6-7,12H,4-5,8H2,1-2H3,(H,15,17).
What are the key properties of 2-(4-acetyl-2-methylphenoxy)-N-cyclopropylacetamide?
2-(4-acetyl-2-methylphenoxy)-N-cyclopropylacetamide has a molecular weight of 247.29 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-methylphenoxy)-N-cyclopropylacetamide is sourced from PubChem (CID 113231478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).