N-(2-hydroxy-3-methylbutyl)-2-(2-methoxyphenoxy)acetamide

C14H21NO4 — CID 115701647

IUPACN-(2-hydroxy-3-methylbutyl)-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCC(O)C(C)C
InChIInChI=1S/C14H21NO4/c1-10(2)11(16)8-15-14(17)9-19-13-7-5-4-6-12(13)18-3/h4-7,10-11,16H,8-9H2,1-3H3,(H,15,17)
InChIKeyPHCZLOVRPFJUQB-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.21
Rot. Bonds7

About N-(2-hydroxy-3-methylbutyl)-2-(2-methoxyphenoxy)acetamide

N-(2-hydroxy-3-methylbutyl)-2-(2-methoxyphenoxy)acetamide (PubChem CID 115701647) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is N-(2-hydroxy-3-methylbutyl)-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methylbutyl)-2-(2-methoxyphenoxy)acetamide
PubChem CID115701647
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC NameN-(2-hydroxy-3-methylbutyl)-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCC(O)C(C)C
InChIInChI=1S/C14H21NO4/c1-10(2)11(16)8-15-14(17)9-19-13-7-5-4-6-12(13)18-3/h4-7,10-11,16H,8-9H2,1-3H3,(H,15,17)
InChIKeyPHCZLOVRPFJUQB-UHFFFAOYSA-N
XLogP1.21
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914369
N-(2-aminopropyl)-2-(2-methoxyphenoxy)acetamide
CID 82354186
N-(2-hydroxy-4-methylpentyl)-2-(2-methoxyphenoxy)acetamide
CID 103770844
2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-(2-methylpropyl)acetamide
CID 49167933
N-(3-amino-2-methylpropyl)-2-(2-methoxyphenoxy)acetamide
CID 115267431
N-(2-ethylbutyl)-2-(2-methoxyphenoxy)acetamide
CID 115612569
N-(2-hydroxypentyl)-2-(2-methoxyphenoxy)acetamide
CID 115700511
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-methoxyphenoxy)acetamide
CID 110663484
N-(3-aminobutyl)-2-(2-methoxyphenoxy)acetamide;hydrochloride
CID 119494768
N-(3-hydroxypentyl)-2-(2-methoxyphenoxy)acetamide
CID 115703728
2-hydroxy-4-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid
CID 107831912
2-(2-chloro-4-fluorophenoxy)-N-(2-hydroxy-3-methylbutyl)acetamide
CID 115744446

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methylbutyl)-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-(2-hydroxy-3-methylbutyl)-2-(2-methoxyphenoxy)acetamide (CID 115701647) is N-(2-hydroxy-3-methylbutyl)-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(2-hydroxy-3-methylbutyl)-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-(2-hydroxy-3-methylbutyl)-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)NCC(O)C(C)C.
What is the InChIKey of N-(2-hydroxy-3-methylbutyl)-2-(2-methoxyphenoxy)acetamide?
The InChIKey is PHCZLOVRPFJUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-10(2)11(16)8-15-14(17)9-19-13-7-5-4-6-12(13)18-3/h4-7,10-11,16H,8-9H2,1-3H3,(H,15,17).
What are the key properties of N-(2-hydroxy-3-methylbutyl)-2-(2-methoxyphenoxy)acetamide?
N-(2-hydroxy-3-methylbutyl)-2-(2-methoxyphenoxy)acetamide has a molecular weight of 267.32 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methylbutyl)-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 115701647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).