2-(3-acetylphenoxy)-N,N-bis(2-methylpropyl)acetamide

C18H27NO3 — CID 78765430

IUPAC2-(3-acetylphenoxy)-N,N-bis(2-methylpropyl)acetamide
SMILESCC(=O)c1cccc(OCC(=O)N(CC(C)C)CC(C)C)c1
InChIInChI=1S/C18H27NO3/c1-13(2)10-19(11-14(3)4)18(21)12-22-17-8-6-7-16(9-17)15(5)20/h6-9,13-14H,10-12H2,1-5H3
InChIKeyPJAZLBBAMAJGJS-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.41
Rot. Bonds8

About 2-(3-acetylphenoxy)-N,N-bis(2-methylpropyl)acetamide

2-(3-acetylphenoxy)-N,N-bis(2-methylpropyl)acetamide (PubChem CID 78765430) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-(3-acetylphenoxy)-N,N-bis(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(3-acetylphenoxy)-N,N-bis(2-methylpropyl)acetamide
PubChem CID78765430
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name2-(3-acetylphenoxy)-N,N-bis(2-methylpropyl)acetamide
SMILESCC(=O)c1cccc(OCC(=O)N(CC(C)C)CC(C)C)c1
InChIInChI=1S/C18H27NO3/c1-13(2)10-19(11-14(3)4)18(21)12-22-17-8-6-7-16(9-17)15(5)20/h6-9,13-14H,10-12H2,1-5H3
InChIKeyPJAZLBBAMAJGJS-UHFFFAOYSA-N
XLogP3.41
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-acetylphenoxy)-N-butyl-N-ethylacetamide
CID 78785120
2-(3-acetylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 51141697
2-(3-acetylphenoxy)-N-(2-aminoethyl)-N-(2-phenylethyl)acetamide
CID 120884790
2-(3-acetylphenoxy)-N-pentan-3-ylacetamide
CID 60626470
3-[[2-(3-bromophenoxy)acetyl]-(2-methylpropyl)amino]propanoic acid
CID 119189919
2-(3-acetylphenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120828020
1-[3-(chloromethoxy)phenyl]ethanone
CID 79531382
N-(4-acetamidophenyl)-2-(3-acetylphenoxy)acetamide
CID 2627260
N-(2-cyanoethyl)-N-(2-methylpropyl)-2-phenoxyacetamide
CID 60654576
1-[3-(3-bromo-2-methylpropoxy)phenyl]ethanone
CID 64996193
2-(3-acetylphenoxy)-N-(1-thiophen-2-ylethyl)acetamide
CID 18170275
1-[3-(2-ethylbutoxy)phenyl]ethanone
CID 82927221

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenoxy)-N,N-bis(2-methylpropyl)acetamide?
The IUPAC name of 2-(3-acetylphenoxy)-N,N-bis(2-methylpropyl)acetamide (CID 78765430) is 2-(3-acetylphenoxy)-N,N-bis(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(3-acetylphenoxy)-N,N-bis(2-methylpropyl)acetamide?
The canonical SMILES for 2-(3-acetylphenoxy)-N,N-bis(2-methylpropyl)acetamide is CC(=O)c1cccc(OCC(=O)N(CC(C)C)CC(C)C)c1.
What is the InChIKey of 2-(3-acetylphenoxy)-N,N-bis(2-methylpropyl)acetamide?
The InChIKey is PJAZLBBAMAJGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-13(2)10-19(11-14(3)4)18(21)12-22-17-8-6-7-16(9-17)15(5)20/h6-9,13-14H,10-12H2,1-5H3.
What are the key properties of 2-(3-acetylphenoxy)-N,N-bis(2-methylpropyl)acetamide?
2-(3-acetylphenoxy)-N,N-bis(2-methylpropyl)acetamide has a molecular weight of 305.42 g/mol, XLogP of 3.41, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenoxy)-N,N-bis(2-methylpropyl)acetamide is sourced from PubChem (CID 78765430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).