2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-propan-2-ylpropanamide

C14H21NO4 — CID 61267389

IUPAC2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-propan-2-ylpropanamide
SMILESCOc1ccc(CO)c(OC(C)C(=O)NC(C)C)c1
InChIInChI=1S/C14H21NO4/c1-9(2)15-14(17)10(3)19-13-7-12(18-4)6-5-11(13)8-16/h5-7,9-10,16H,8H2,1-4H3,(H,15,17)
InChIKeyDBCZDIHZCZLWIY-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.48
Rot. Bonds6

About 2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-propan-2-ylpropanamide

2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-propan-2-ylpropanamide (PubChem CID 61267389) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-propan-2-ylpropanamide
PubChem CID61267389
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-propan-2-ylpropanamide
SMILESCOc1ccc(CO)c(OC(C)C(=O)NC(C)C)c1
InChIInChI=1S/C14H21NO4/c1-9(2)15-14(17)10(3)19-13-7-12(18-4)6-5-11(13)8-16/h5-7,9-10,16H,8H2,1-4H3,(H,15,17)
InChIKeyDBCZDIHZCZLWIY-UHFFFAOYSA-N
XLogP1.48
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-(3-methylbutyl)propanamide
CID 61267766
2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-pentylpropanamide
CID 61267387
2-(2-amino-5-methoxyphenoxy)-N-propan-2-ylpropanamide
CID 102702350
(2S)-2-(2-acetyl-5-methoxyphenoxy)-N-propan-2-ylpropanamide
CID 32886949
(4-methoxy-2-propan-2-yloxyphenyl)methanol
CID 61267391
2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(2-methylpropyl)propanamide
CID 43267928
2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-prop-2-enylpropanamide
CID 43267929
2-[2-(aminomethyl)-5-methoxyphenoxy]-N-ethylpropanamide
CID 61269246
2-[5-methoxy-2-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide
CID 61270005
2-[2-(aminomethyl)-5-methoxyphenoxy]-N-cyclopentylpropanamide
CID 61268519
2-[2-(aminomethyl)-4-methoxyphenoxy]-N-pentan-3-ylpropanamide
CID 43268118
[2,4-di(propan-2-yloxy)phenyl]methanol
CID 12071268

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-propan-2-ylpropanamide (CID 61267389) is 2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-propan-2-ylpropanamide is COc1ccc(CO)c(OC(C)C(=O)NC(C)C)c1.
What is the InChIKey of 2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-propan-2-ylpropanamide?
The InChIKey is DBCZDIHZCZLWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-9(2)15-14(17)10(3)19-13-7-12(18-4)6-5-11(13)8-16/h5-7,9-10,16H,8H2,1-4H3,(H,15,17).
What are the key properties of 2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-propan-2-ylpropanamide?
2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-propan-2-ylpropanamide has a molecular weight of 267.32 g/mol, XLogP of 1.48, 6 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-propan-2-ylpropanamide is sourced from PubChem (CID 61267389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).