2-(2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide

C15H21NO4 — CID 46418634

IUPAC2-(2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCOc1ccc(CC(=O)NCC2CCCO2)c(OC)c1
InChIInChI=1S/C15H21NO4/c1-18-12-6-5-11(14(9-12)19-2)8-15(17)16-10-13-4-3-7-20-13/h5-6,9,13H,3-4,7-8,10H2,1-2H3,(H,16,17)
InChIKeyJBYIQFMNAFUQQB-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.54
Rot. Bonds6

About 2-(2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide

2-(2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 46418634) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID46418634
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-(2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCOc1ccc(CC(=O)NCC2CCCO2)c(OC)c1
InChIInChI=1S/C15H21NO4/c1-18-12-6-5-11(14(9-12)19-2)8-15(17)16-10-13-4-3-7-20-13/h5-6,9,13H,3-4,7-8,10H2,1-2H3,(H,16,17)
InChIKeyJBYIQFMNAFUQQB-UHFFFAOYSA-N
XLogP1.54
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,4-dimethoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 1071362
1-[(2,4-dimethoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 1071363
2-[(2,4-dimethoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 112991374
4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(oxolan-2-ylmethyl)butanamide
CID 84556231
N-(oxolan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 18168436
1-(2,5-dimethoxyphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47194992
N-[2-(2,5-dimethoxyphenyl)ethyl]-2-[(2R)-oxolan-2-yl]acetamide
CID 94484955
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434
N'-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide
CID 108943622
2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 56922703
3,5-dimethoxy-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzamide
CID 18160278
3-(4-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 17034638

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide (CID 46418634) is 2-(2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide is COc1ccc(CC(=O)NCC2CCCO2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is JBYIQFMNAFUQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-18-12-6-5-11(14(9-12)19-2)8-15(17)16-10-13-4-3-7-20-13/h5-6,9,13H,3-4,7-8,10H2,1-2H3,(H,16,17).
What are the key properties of 2-(2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide?
2-(2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 279.34 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 46418634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).