2-(3-acetylphenoxy)-N-(2-methylbutan-2-yl)propanamide

C16H23NO3 — CID 43112351

IUPAC2-(3-acetylphenoxy)-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)Oc1cccc(C(C)=O)c1
InChIInChI=1S/C16H23NO3/c1-6-16(4,5)17-15(19)12(3)20-14-9-7-8-13(10-14)11(2)18/h7-10,12H,6H2,1-5H3,(H,17,19)
InChIKeyWXVBNQQCWGLWGD-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.96
Rot. Bonds6

About 2-(3-acetylphenoxy)-N-(2-methylbutan-2-yl)propanamide

2-(3-acetylphenoxy)-N-(2-methylbutan-2-yl)propanamide (PubChem CID 43112351) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-(3-acetylphenoxy)-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-(3-acetylphenoxy)-N-(2-methylbutan-2-yl)propanamide
PubChem CID43112351
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-(3-acetylphenoxy)-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)Oc1cccc(C(C)=O)c1
InChIInChI=1S/C16H23NO3/c1-6-16(4,5)17-15(19)12(3)20-14-9-7-8-13(10-14)11(2)18/h7-10,12H,6H2,1-5H3,(H,17,19)
InChIKeyWXVBNQQCWGLWGD-UHFFFAOYSA-N
XLogP2.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-iodophenoxy)-N-(2-methylbutan-2-yl)propanamide
CID 61400047
2-(3-acetylphenoxy)-N-(1-amino-2-cyclopropylpropan-2-yl)propanamide;hydrochloride
CID 119572644
2-(3-acetylphenoxy)-N-[2-(ethylamino)ethyl]propanamide
CID 119505122
2-(3-acetylphenoxy)-N-(2-aminoethyl)propanamide;hydrochloride
CID 119382393
methyl 2-(3-acetylphenoxy)propanoate
CID 60643105
2-[4-[(1S)-1-aminoethyl]phenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 63367482
2-(3-acetylphenoxy)-N-(2-phenylpropyl)propanamide
CID 51141698
(2S)-2-(3-acetylphenoxy)-N-[2-(2-fluorophenyl)-2-methylpropyl]propanamide
CID 52834656
N-(1-amino-2-methylpropan-2-yl)-2-(3-chlorophenoxy)propanamide
CID 63193676
2-(3-acetylphenoxy)-N-[(4-fluorophenyl)methyl]propanamide
CID 51235146
3-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 5204623
2-(3-chlorophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide
CID 64556752

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenoxy)-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-(3-acetylphenoxy)-N-(2-methylbutan-2-yl)propanamide (CID 43112351) is 2-(3-acetylphenoxy)-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-(3-acetylphenoxy)-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-(3-acetylphenoxy)-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)Oc1cccc(C(C)=O)c1.
What is the InChIKey of 2-(3-acetylphenoxy)-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is WXVBNQQCWGLWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-6-16(4,5)17-15(19)12(3)20-14-9-7-8-13(10-14)11(2)18/h7-10,12H,6H2,1-5H3,(H,17,19).
What are the key properties of 2-(3-acetylphenoxy)-N-(2-methylbutan-2-yl)propanamide?
2-(3-acetylphenoxy)-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 277.36 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenoxy)-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 43112351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).