3-(2,5-dimethoxyphenyl)-N-[(2S)-2-hydroxy-3-methoxypropyl]-N-methylpropanamide

C16H25NO5 — CID 95972002

IUPAC3-(2,5-dimethoxyphenyl)-N-[(2S)-2-hydroxy-3-methoxypropyl]-N-methylpropanamide
SMILESCOC[C@@H](O)CN(C)C(=O)CCc1cc(OC)ccc1OC
InChIInChI=1S/C16H25NO5/c1-17(10-13(18)11-20-2)16(19)8-5-12-9-14(21-3)6-7-15(12)22-4/h6-7,9,13,18H,5,8,10-11H2,1-4H3/t13-/m0/s1
InChIKeyJUTYVBGATIIUOF-ZDUSSCGKSA-N
MW311.38 g/mol
LogP1.10
Rot. Bonds9

About 3-(2,5-dimethoxyphenyl)-N-[(2S)-2-hydroxy-3-methoxypropyl]-N-methylpropanamide

3-(2,5-dimethoxyphenyl)-N-[(2S)-2-hydroxy-3-methoxypropyl]-N-methylpropanamide (PubChem CID 95972002) has the molecular formula C16H25NO5 and a molecular weight of 311.38 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-N-[(2S)-2-hydroxy-3-methoxypropyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-N-[(2S)-2-hydroxy-3-methoxypropyl]-N-methylpropanamide
PubChem CID95972002
Molecular FormulaC16H25NO5
Molecular Weight311.38 g/mol
Exact Mass311.17
IUPAC Name3-(2,5-dimethoxyphenyl)-N-[(2S)-2-hydroxy-3-methoxypropyl]-N-methylpropanamide
SMILESCOC[C@@H](O)CN(C)C(=O)CCc1cc(OC)ccc1OC
InChIInChI=1S/C16H25NO5/c1-17(10-13(18)11-20-2)16(19)8-5-12-9-14(21-3)6-7-15(12)22-4/h6-7,9,13,18H,5,8,10-11H2,1-4H3/t13-/m0/s1
InChIKeyJUTYVBGATIIUOF-ZDUSSCGKSA-N
XLogP1.10
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(2,5-dimethoxyphenyl)propanoyl-methylamino]-2-methylpropanoic acid
CID 119228673
2-amino-N-(2-hydroxy-3-methoxypropyl)-5-methoxy-N-methylbenzamide
CID 54994939
N-[2-(2,5-dimethoxyphenyl)ethyl]-2-hydroxy-N-methylpropanamide
CID 115141026
3-(2,5-dimethoxyphenyl)propanoyl chloride
CID 121219721
3-amino-N-[(2,5-dimethoxyphenyl)methyl]-N-methylpropanamide
CID 39355922
N-[(2,5-dimethoxyphenyl)methyl]-N-methyl-3-sulfanylpropanamide
CID 115167920
3-(3-bromophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide
CID 54993578
4-(2,5-dimethoxyphenyl)-N-methylbutanehydrazide
CID 116845076
2-(2,5-dimethoxyphenyl)ethyl-methylcarbamothioic S-acid
CID 115170385
2-(2,5-dimethylphenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide
CID 62539688
N-[(2,4-dimethoxyphenyl)methyl]-3-(2-methoxyphenyl)-N-methylpropanamide
CID 112790463
1-(2,5-dimethoxyphenyl)-4,4-dimethylpentan-3-one
CID 64503606

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-N-[(2S)-2-hydroxy-3-methoxypropyl]-N-methylpropanamide?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-N-[(2S)-2-hydroxy-3-methoxypropyl]-N-methylpropanamide (CID 95972002) is 3-(2,5-dimethoxyphenyl)-N-[(2S)-2-hydroxy-3-methoxypropyl]-N-methylpropanamide.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-N-[(2S)-2-hydroxy-3-methoxypropyl]-N-methylpropanamide?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-N-[(2S)-2-hydroxy-3-methoxypropyl]-N-methylpropanamide is COC[C@@H](O)CN(C)C(=O)CCc1cc(OC)ccc1OC.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-N-[(2S)-2-hydroxy-3-methoxypropyl]-N-methylpropanamide?
The InChIKey is JUTYVBGATIIUOF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H25NO5/c1-17(10-13(18)11-20-2)16(19)8-5-12-9-14(21-3)6-7-15(12)22-4/h6-7,9,13,18H,5,8,10-11H2,1-4H3/t13-/m0/s1.
What are the key properties of 3-(2,5-dimethoxyphenyl)-N-[(2S)-2-hydroxy-3-methoxypropyl]-N-methylpropanamide?
3-(2,5-dimethoxyphenyl)-N-[(2S)-2-hydroxy-3-methoxypropyl]-N-methylpropanamide has a molecular weight of 311.38 g/mol, XLogP of 1.10, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-N-[(2S)-2-hydroxy-3-methoxypropyl]-N-methylpropanamide is sourced from PubChem (CID 95972002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).