N-(2-hydroxy-4-methylpentyl)-2-(2-hydroxyphenoxy)acetamide

C14H21NO4 — CID 103822650

IUPACN-(2-hydroxy-4-methylpentyl)-2-(2-hydroxyphenoxy)acetamide
SMILESCC(C)CC(O)CNC(=O)COc1ccccc1O
InChIInChI=1S/C14H21NO4/c1-10(2)7-11(16)8-15-14(18)9-19-13-6-4-3-5-12(13)17/h3-6,10-11,16-17H,7-9H2,1-2H3,(H,15,18)
InChIKeyCUSGHJTWYGYYKA-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.29
Rot. Bonds7

About N-(2-hydroxy-4-methylpentyl)-2-(2-hydroxyphenoxy)acetamide

N-(2-hydroxy-4-methylpentyl)-2-(2-hydroxyphenoxy)acetamide (PubChem CID 103822650) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylpentyl)-2-(2-hydroxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylpentyl)-2-(2-hydroxyphenoxy)acetamide
PubChem CID103822650
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC NameN-(2-hydroxy-4-methylpentyl)-2-(2-hydroxyphenoxy)acetamide
SMILESCC(C)CC(O)CNC(=O)COc1ccccc1O
InChIInChI=1S/C14H21NO4/c1-10(2)7-11(16)8-15-14(18)9-19-13-6-4-3-5-12(13)17/h3-6,10-11,16-17H,7-9H2,1-2H3,(H,15,18)
InChIKeyCUSGHJTWYGYYKA-UHFFFAOYSA-N
XLogP1.29
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-4-methylpentyl)-2-(2-methoxyphenoxy)acetamide
CID 103770844
2-(2-hydroxyphenoxy)-N-(2-methylpropyl)acetamide
CID 43087121
N-(2-hydroxy-4-methylpentyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 103771540
2-(2-aminophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide
CID 107150626
2-[2-[(2-hydroxy-4-methylpentyl)amino]-2-oxoethoxy]benzamide
CID 107155288
N-(2-hydroxy-4-methylpentyl)-2-(2-nitrophenoxy)acetamide
CID 103771047
2-(2,5-dichlorophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103771579
N-(2-hydroxy-4-methylpentyl)-2-(4-methoxyphenoxy)acetamide
CID 103771418
N-[(2R)-2-hydroxypropyl]-2-(2-methylphenoxy)acetamide
CID 83032241
2-(2-chloro-5-methylphenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103771426
2-(4-bromophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103771067
N-(2-hydroxy-4-methylpentyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 103770722

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylpentyl)-2-(2-hydroxyphenoxy)acetamide?
The IUPAC name of N-(2-hydroxy-4-methylpentyl)-2-(2-hydroxyphenoxy)acetamide (CID 103822650) is N-(2-hydroxy-4-methylpentyl)-2-(2-hydroxyphenoxy)acetamide.
What is the SMILES notation for N-(2-hydroxy-4-methylpentyl)-2-(2-hydroxyphenoxy)acetamide?
The canonical SMILES for N-(2-hydroxy-4-methylpentyl)-2-(2-hydroxyphenoxy)acetamide is CC(C)CC(O)CNC(=O)COc1ccccc1O.
What is the InChIKey of N-(2-hydroxy-4-methylpentyl)-2-(2-hydroxyphenoxy)acetamide?
The InChIKey is CUSGHJTWYGYYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-10(2)7-11(16)8-15-14(18)9-19-13-6-4-3-5-12(13)17/h3-6,10-11,16-17H,7-9H2,1-2H3,(H,15,18).
What are the key properties of N-(2-hydroxy-4-methylpentyl)-2-(2-hydroxyphenoxy)acetamide?
N-(2-hydroxy-4-methylpentyl)-2-(2-hydroxyphenoxy)acetamide has a molecular weight of 267.32 g/mol, XLogP of 1.29, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylpentyl)-2-(2-hydroxyphenoxy)acetamide is sourced from PubChem (CID 103822650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).