2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-(3-methylbutyl)propanamide

C16H25NO4 — CID 61267766

IUPAC2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-(3-methylbutyl)propanamide
SMILESCOc1ccc(CO)c(OC(C)C(=O)NCCC(C)C)c1
InChIInChI=1S/C16H25NO4/c1-11(2)7-8-17-16(19)12(3)21-15-9-14(20-4)6-5-13(15)10-18/h5-6,9,11-12,18H,7-8,10H2,1-4H3,(H,17,19)
InChIKeyWAQLQIFWEQSYAJ-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.12
Rot. Bonds8

About 2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-(3-methylbutyl)propanamide

2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-(3-methylbutyl)propanamide (PubChem CID 61267766) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-(3-methylbutyl)propanamide
PubChem CID61267766
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-(3-methylbutyl)propanamide
SMILESCOc1ccc(CO)c(OC(C)C(=O)NCCC(C)C)c1
InChIInChI=1S/C16H25NO4/c1-11(2)7-8-17-16(19)12(3)21-15-9-14(20-4)6-5-13(15)10-18/h5-6,9,11-12,18H,7-8,10H2,1-4H3,(H,17,19)
InChIKeyWAQLQIFWEQSYAJ-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-pentylpropanamide
CID 61267387
2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-propan-2-ylpropanamide
CID 61267389
2-(2-formyl-5-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 61267937
2-(4-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 21173373
2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(2-methylpropyl)propanamide
CID 43267928
2-[5-methoxy-2-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide
CID 61270005
2-[2-(aminomethyl)-5-methoxyphenoxy]-N-ethylpropanamide
CID 61269246
(4-methoxy-2-propan-2-yloxyphenyl)methanol
CID 61267391
2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-prop-2-enylpropanamide
CID 43267929
2-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)propanamide
CID 115956348
2-[2-fluoro-4-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)propanamide
CID 107690610
2-[2-(1-hydroxyethyl)-5-methoxyphenoxy]-N-(2-methoxyethyl)propanamide
CID 82003316

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-(3-methylbutyl)propanamide (CID 61267766) is 2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-(3-methylbutyl)propanamide is COc1ccc(CO)c(OC(C)C(=O)NCCC(C)C)c1.
What is the InChIKey of 2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-(3-methylbutyl)propanamide?
The InChIKey is WAQLQIFWEQSYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-11(2)7-8-17-16(19)12(3)21-15-9-14(20-4)6-5-13(15)10-18/h5-6,9,11-12,18H,7-8,10H2,1-4H3,(H,17,19).
What are the key properties of 2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-(3-methylbutyl)propanamide?
2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-(3-methylbutyl)propanamide has a molecular weight of 295.38 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 61267766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).