2-(2-acetyl-4-methylphenoxy)-N-pentan-3-ylacetamide

C16H23NO3 — CID 60627416

IUPAC2-(2-acetyl-4-methylphenoxy)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)COc1ccc(C)cc1C(C)=O
InChIInChI=1S/C16H23NO3/c1-5-13(6-2)17-16(19)10-20-15-8-7-11(3)9-14(15)12(4)18/h7-9,13H,5-6,10H2,1-4H3,(H,17,19)
InChIKeyOEBBXAXZARTAPY-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.88
Rot. Bonds7

About 2-(2-acetyl-4-methylphenoxy)-N-pentan-3-ylacetamide

2-(2-acetyl-4-methylphenoxy)-N-pentan-3-ylacetamide (PubChem CID 60627416) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-(2-acetyl-4-methylphenoxy)-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-(2-acetyl-4-methylphenoxy)-N-pentan-3-ylacetamide
PubChem CID60627416
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-(2-acetyl-4-methylphenoxy)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)COc1ccc(C)cc1C(C)=O
InChIInChI=1S/C16H23NO3/c1-5-13(6-2)17-16(19)10-20-15-8-7-11(3)9-14(15)12(4)18/h7-9,13H,5-6,10H2,1-4H3,(H,17,19)
InChIKeyOEBBXAXZARTAPY-UHFFFAOYSA-N
XLogP2.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-amino-4-methylphenoxy)-N-pentan-3-ylacetamide
CID 54957008
2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-pentan-3-ylacetamide
CID 77003482
2-(2-amino-5-methylphenoxy)-N-pentan-3-ylacetamide
CID 54956904
2-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide
CID 61486793
2-(2-acetyl-4-methylphenoxy)-N-tert-butylacetamide
CID 43388654
2-(2-acetyl-5-methylphenoxy)-N-butan-2-ylacetamide
CID 60701053
2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-pentan-3-ylacetamide
CID 63649947
2-(2-acetyl-4-chlorophenoxy)-N-[(2R)-butan-2-yl]acetamide
CID 7167702
2-(4-chloro-2-methylphenoxy)-N-pentan-3-ylacetamide
CID 112779196
5-amino-2-[2-oxo-2-(pentan-3-ylamino)ethoxy]benzamide
CID 106956198
propan-2-yl 2-(2-acetyl-4-methylphenoxy)acetate
CID 54942552
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-hydroxy-5-methylbenzoate
CID 7771336

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-4-methylphenoxy)-N-pentan-3-ylacetamide?
The IUPAC name of 2-(2-acetyl-4-methylphenoxy)-N-pentan-3-ylacetamide (CID 60627416) is 2-(2-acetyl-4-methylphenoxy)-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-(2-acetyl-4-methylphenoxy)-N-pentan-3-ylacetamide?
The canonical SMILES for 2-(2-acetyl-4-methylphenoxy)-N-pentan-3-ylacetamide is CCC(CC)NC(=O)COc1ccc(C)cc1C(C)=O.
What is the InChIKey of 2-(2-acetyl-4-methylphenoxy)-N-pentan-3-ylacetamide?
The InChIKey is OEBBXAXZARTAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-5-13(6-2)17-16(19)10-20-15-8-7-11(3)9-14(15)12(4)18/h7-9,13H,5-6,10H2,1-4H3,(H,17,19).
What are the key properties of 2-(2-acetyl-4-methylphenoxy)-N-pentan-3-ylacetamide?
2-(2-acetyl-4-methylphenoxy)-N-pentan-3-ylacetamide has a molecular weight of 277.36 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-4-methylphenoxy)-N-pentan-3-ylacetamide is sourced from PubChem (CID 60627416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).