2-(2-acetyl-5-methoxyphenoxy)-N-butan-2-ylpropanamide

C16H23NO4 — CID 115279935

IUPAC2-(2-acetyl-5-methoxyphenoxy)-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)C(C)Oc1cc(OC)ccc1C(C)=O
InChIInChI=1S/C16H23NO4/c1-6-10(2)17-16(19)12(4)21-15-9-13(20-5)7-8-14(15)11(3)18/h7-10,12H,6H2,1-5H3,(H,17,19)
InChIKeyAQEWCVODMOJITG-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.58
Rot. Bonds7

About 2-(2-acetyl-5-methoxyphenoxy)-N-butan-2-ylpropanamide

2-(2-acetyl-5-methoxyphenoxy)-N-butan-2-ylpropanamide (PubChem CID 115279935) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-(2-acetyl-5-methoxyphenoxy)-N-butan-2-ylpropanamide.

Molecular Properties

Compound Name2-(2-acetyl-5-methoxyphenoxy)-N-butan-2-ylpropanamide
PubChem CID115279935
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-(2-acetyl-5-methoxyphenoxy)-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)C(C)Oc1cc(OC)ccc1C(C)=O
InChIInChI=1S/C16H23NO4/c1-6-10(2)17-16(19)12(4)21-15-9-13(20-5)7-8-14(15)11(3)18/h7-10,12H,6H2,1-5H3,(H,17,19)
InChIKeyAQEWCVODMOJITG-UHFFFAOYSA-N
XLogP2.58
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2-acetyl-5-methoxyphenoxy)-N-propan-2-ylpropanamide
CID 32886949
2-(2-bromo-4-methoxyphenoxy)-N-butan-2-ylpropanamide
CID 104704703
(2R)-N-[(2S)-butan-2-yl]-2-(4-methoxyphenoxy)propanamide
CID 925169
ethyl 2-(2-acetyl-5-methoxyphenoxy)propanoate
CID 15267098
2-(2-acetyl-5-methoxyphenoxy)-N-cyclopropylpropanamide
CID 78906259
1-(4-methoxy-2-pentan-3-yloxyphenyl)ethanone
CID 82001376
2-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxy-4-fluorobenzoic acid
CID 107014270
(2R)-N-[(2R)-butan-2-yl]-2-(2-methoxyphenoxy)propanamide
CID 9179566
2-(2-acetyl-5-methoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51233960
N-butan-2-yl-2-(2,4-dimethoxyanilino)propanamide
CID 43113547
2-(2-acetylphenoxy)-N-pentan-2-ylpropanamide
CID 43115628
N-butan-2-yl-2-(4-methylphenoxy)propanamide
CID 42909893

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-5-methoxyphenoxy)-N-butan-2-ylpropanamide?
The IUPAC name of 2-(2-acetyl-5-methoxyphenoxy)-N-butan-2-ylpropanamide (CID 115279935) is 2-(2-acetyl-5-methoxyphenoxy)-N-butan-2-ylpropanamide.
What is the SMILES notation for 2-(2-acetyl-5-methoxyphenoxy)-N-butan-2-ylpropanamide?
The canonical SMILES for 2-(2-acetyl-5-methoxyphenoxy)-N-butan-2-ylpropanamide is CCC(C)NC(=O)C(C)Oc1cc(OC)ccc1C(C)=O.
What is the InChIKey of 2-(2-acetyl-5-methoxyphenoxy)-N-butan-2-ylpropanamide?
The InChIKey is AQEWCVODMOJITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-6-10(2)17-16(19)12(4)21-15-9-13(20-5)7-8-14(15)11(3)18/h7-10,12H,6H2,1-5H3,(H,17,19).
What are the key properties of 2-(2-acetyl-5-methoxyphenoxy)-N-butan-2-ylpropanamide?
2-(2-acetyl-5-methoxyphenoxy)-N-butan-2-ylpropanamide has a molecular weight of 293.36 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-5-methoxyphenoxy)-N-butan-2-ylpropanamide is sourced from PubChem (CID 115279935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).