2-(3,4-dimethoxyphenyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide

C16H25NO4 — CID 62517073

IUPAC2-(3,4-dimethoxyphenyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
SMILESCCC(CC)(CO)NC(=O)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C16H25NO4/c1-5-16(6-2,11-18)17-15(19)10-12-7-8-13(20-3)14(9-12)21-4/h7-9,18H,5-6,10-11H2,1-4H3,(H,17,19)
InChIKeyVEYDDSZKURXODH-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.91
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide

2-(3,4-dimethoxyphenyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide (PubChem CID 62517073) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
PubChem CID62517073
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
SMILESCCC(CC)(CO)NC(=O)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C16H25NO4/c1-5-16(6-2,11-18)17-15(19)10-12-7-8-13(20-3)14(9-12)21-4/h7-9,18H,5-6,10-11H2,1-4H3,(H,17,19)
InChIKeyVEYDDSZKURXODH-UHFFFAOYSA-N
XLogP1.91
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
CID 62520281
N'-acetyl-2-(3,4-dimethoxyphenyl)acetohydrazide
CID 799227
2-(3,4-dimethoxyphenyl)-N-(2-phenylpropan-2-yl)acetamide
CID 113091742
N-(2-amino-2-ethylbutyl)-2-(3,4-dimethoxyphenyl)acetamide;hydrochloride
CID 119641340
ethyl (2S)-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,3-dimethylbutanoate
CID 95980819
2-(3,4-dimethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82725203
2-(3-fluoro-4-methoxyphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43393255
1-(3,4-dimethoxyphenyl)-4-hydroxybutane-2,3-dione
CID 69126114
methyl 3-(3,4-dimethoxyphenyl)-2-oxopropanoate
CID 15852024
2-(3,4-dimethoxyphenyl)-N-[(1S)-1-hydroxy-2-methyl-1-pyridin-4-ylpropan-2-yl]acetamide
CID 97356874
1-[(3,4-dimethoxyphenyl)methyl]-3-[(2R)-1-hydroxy-2-methylbutan-2-yl]urea
CID 95772333
N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 720355

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide (CID 62517073) is 2-(3,4-dimethoxyphenyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide is CCC(CC)(CO)NC(=O)Cc1ccc(OC)c(OC)c1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide?
The InChIKey is VEYDDSZKURXODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-5-16(6-2,11-18)17-15(19)10-12-7-8-13(20-3)14(9-12)21-4/h7-9,18H,5-6,10-11H2,1-4H3,(H,17,19).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide has a molecular weight of 295.38 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide is sourced from PubChem (CID 62517073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).