N-(2,5-dioxohexan-3-yl)-2-(4-hydroxyphenoxy)acetamide;ethane

C16H23NO5 — CID 142074874

IUPACN-(2,5-dioxohexan-3-yl)-2-(4-hydroxyphenoxy)acetamide;ethane
SMILESCC.CC(=O)CC(NC(=O)COc1ccc(O)cc1)C(C)=O
InChIInChI=1S/C14H17NO5.C2H6/c1-9(16)7-13(10(2)17)15-14(19)8-20-12-5-3-11(18)4-6-12;1-2/h3-6,13,18H,7-8H2,1-2H3,(H,15,19);1-2H3
InChIKeyQNVULBKAVAJGBK-UHFFFAOYSA-N
MW309.36 g/mol
LogP1.85
Rot. Bonds7

About N-(2,5-dioxohexan-3-yl)-2-(4-hydroxyphenoxy)acetamide;ethane

N-(2,5-dioxohexan-3-yl)-2-(4-hydroxyphenoxy)acetamide;ethane (PubChem CID 142074874) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is N-(2,5-dioxohexan-3-yl)-2-(4-hydroxyphenoxy)acetamide;ethane.

Molecular Properties

Compound NameN-(2,5-dioxohexan-3-yl)-2-(4-hydroxyphenoxy)acetamide;ethane
PubChem CID142074874
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC NameN-(2,5-dioxohexan-3-yl)-2-(4-hydroxyphenoxy)acetamide;ethane
SMILESCC.CC(=O)CC(NC(=O)COc1ccc(O)cc1)C(C)=O
InChIInChI=1S/C14H17NO5.C2H6/c1-9(16)7-13(10(2)17)15-14(19)8-20-12-5-3-11(18)4-6-12;1-2/h3-6,13,18H,7-8H2,1-2H3,(H,15,19);1-2H3
InChIKeyQNVULBKAVAJGBK-UHFFFAOYSA-N
XLogP1.85
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-3-oxo-1-phenylbutan-2-yl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 7950524
ethyl (2S)-2-[[2-(4-hydroxyphenoxy)acetyl]amino]-3-(4-hydroxyphenyl)propanoate
CID 70496078
N-hydroxy-2-(4-hydroxyphenoxy)acetamide
CID 130033325
2-(4-acetylphenoxy)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 7763916
2-(4-fluorophenoxy)-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 7818065
N-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 65313044
2-(4-methoxyphenoxy)-N-pentan-3-ylacetamide
CID 877838
N-[1-(4-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 914096
2-[4-[2-(4-hydroxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methylphenyl)acetamide
CID 71095079
2-(4-hydroxyphenoxy)-N-(2-methoxyethyl)acetamide
CID 61485470
N-[(2R)-1-hydroxypropan-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 79031134
(2R)-4-amino-2-[[2-(4-ethylphenoxy)acetyl]amino]-4-oxobutanoic acid
CID 107821449

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dioxohexan-3-yl)-2-(4-hydroxyphenoxy)acetamide;ethane?
The IUPAC name of N-(2,5-dioxohexan-3-yl)-2-(4-hydroxyphenoxy)acetamide;ethane (CID 142074874) is N-(2,5-dioxohexan-3-yl)-2-(4-hydroxyphenoxy)acetamide;ethane.
What is the SMILES notation for N-(2,5-dioxohexan-3-yl)-2-(4-hydroxyphenoxy)acetamide;ethane?
The canonical SMILES for N-(2,5-dioxohexan-3-yl)-2-(4-hydroxyphenoxy)acetamide;ethane is CC.CC(=O)CC(NC(=O)COc1ccc(O)cc1)C(C)=O.
What is the InChIKey of N-(2,5-dioxohexan-3-yl)-2-(4-hydroxyphenoxy)acetamide;ethane?
The InChIKey is QNVULBKAVAJGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5.C2H6/c1-9(16)7-13(10(2)17)15-14(19)8-20-12-5-3-11(18)4-6-12;1-2/h3-6,13,18H,7-8H2,1-2H3,(H,15,19);1-2H3.
What are the key properties of N-(2,5-dioxohexan-3-yl)-2-(4-hydroxyphenoxy)acetamide;ethane?
N-(2,5-dioxohexan-3-yl)-2-(4-hydroxyphenoxy)acetamide;ethane has a molecular weight of 309.36 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dioxohexan-3-yl)-2-(4-hydroxyphenoxy)acetamide;ethane is sourced from PubChem (CID 142074874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).