3-(2,6-dimethylphenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide

C16H25NO4 — CID 103877668

IUPAC3-(2,6-dimethylphenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide
SMILESCOCC(O)CCNC(=O)CCOc1c(C)cccc1C
InChIInChI=1S/C16H25NO4/c1-12-5-4-6-13(2)16(12)21-10-8-15(19)17-9-7-14(18)11-20-3/h4-6,14,18H,7-11H2,1-3H3,(H,17,19)
InChIKeyBRZMZEFUDJKKGG-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.59
Rot. Bonds9

About 3-(2,6-dimethylphenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide

3-(2,6-dimethylphenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide (PubChem CID 103877668) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 3-(2,6-dimethylphenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide.

Molecular Properties

Compound Name3-(2,6-dimethylphenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide
PubChem CID103877668
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name3-(2,6-dimethylphenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide
SMILESCOCC(O)CCNC(=O)CCOc1c(C)cccc1C
InChIInChI=1S/C16H25NO4/c1-12-5-4-6-13(2)16(12)21-10-8-15(19)17-9-7-14(18)11-20-3/h4-6,14,18H,7-11H2,1-3H3,(H,17,19)
InChIKeyBRZMZEFUDJKKGG-UHFFFAOYSA-N
XLogP1.59
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxy-4-methoxybutyl)-3-phenoxypropanamide
CID 103876749
N-(3-hydroxy-4-methoxybutyl)-3-(4-methylphenoxy)propanamide
CID 103877644
3-(3-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide
CID 103876884
3-(2,6-dimethylphenoxy)-N-(4-hydroxybutyl)propanamide
CID 106843337
3-(4-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide
CID 103876915
methyl 3-[3-(2,6-dimethylphenoxy)propanoylamino]-2-hydroxypropanoate
CID 103958083
2-[3-(2,6-dimethylphenoxy)propanoylamino]-3-methoxypropanoic acid
CID 81084522
4-hydroxy-N-(3-hydroxy-4-methoxybutyl)pentanamide
CID 106248553
N-(2-acetamidoethyl)-4-(2,6-dimethylphenoxy)butanamide
CID 108572937
N-[2-[(2-chloroacetyl)amino]ethyl]-4-(2,6-dimethylphenoxy)butanamide
CID 108572936
3-(2-chlorophenyl)-N-(3-hydroxy-4-methoxybutyl)propanamide
CID 103876817
4-(4-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)butanamide
CID 103877004

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide?
The IUPAC name of 3-(2,6-dimethylphenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide (CID 103877668) is 3-(2,6-dimethylphenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide.
What is the SMILES notation for 3-(2,6-dimethylphenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide?
The canonical SMILES for 3-(2,6-dimethylphenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide is COCC(O)CCNC(=O)CCOc1c(C)cccc1C.
What is the InChIKey of 3-(2,6-dimethylphenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide?
The InChIKey is BRZMZEFUDJKKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-12-5-4-6-13(2)16(12)21-10-8-15(19)17-9-7-14(18)11-20-3/h4-6,14,18H,7-11H2,1-3H3,(H,17,19).
What are the key properties of 3-(2,6-dimethylphenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide?
3-(2,6-dimethylphenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide has a molecular weight of 295.38 g/mol, XLogP of 1.59, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide is sourced from PubChem (CID 103877668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).