N-(1-hydroxy-4-methylpentan-2-yl)-2-phenoxyacetamide

C14H21NO3 — CID 61245289

IUPACN-(1-hydroxy-4-methylpentan-2-yl)-2-phenoxyacetamide
SMILESCC(C)CC(CO)NC(=O)COc1ccccc1
InChIInChI=1S/C14H21NO3/c1-11(2)8-12(9-16)15-14(17)10-18-13-6-4-3-5-7-13/h3-7,11-12,16H,8-10H2,1-2H3,(H,15,17)
InChIKeyXSSOKULOBYAXPY-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.59
Rot. Bonds7

About N-(1-hydroxy-4-methylpentan-2-yl)-2-phenoxyacetamide

N-(1-hydroxy-4-methylpentan-2-yl)-2-phenoxyacetamide (PubChem CID 61245289) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)-2-phenoxyacetamide
PubChem CID61245289
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)-2-phenoxyacetamide
SMILESCC(C)CC(CO)NC(=O)COc1ccccc1
InChIInChI=1S/C14H21NO3/c1-11(2)8-12(9-16)15-14(17)10-18-13-6-4-3-5-7-13/h3-7,11-12,16H,8-10H2,1-2H3,(H,15,17)
InChIKeyXSSOKULOBYAXPY-UHFFFAOYSA-N
XLogP1.59
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-4-methylpentan-2-yl)-3-phenoxypropanamide
CID 61246616
N-(1-hydroxypropan-2-yl)-2-phenoxyacetamide
CID 43418917
2-phenoxy-N-propan-2-ylacetamide
CID 3614481
N-(1-hydroxy-4-methylpentan-2-yl)-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 163082505
N-(1,3-dihydroxypropan-2-yl)-2-(4-methylphenoxy)acetamide
CID 65312489
N-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 65313044
N-(1-amino-4-methylpentan-2-yl)-2-(4-methylphenoxy)acetamide
CID 119585848
N-(3-methylbutyl)-2-phenoxyacetamide
CID 2905656
N-[(1R)-2-hydroxy-1-phenylethyl]-2-phenoxyacetamide
CID 39370051
N-(1-aminopropan-2-yl)-2-phenoxyacetamide
CID 63732380
N-(1-hydroxy-4-methylpentan-3-yl)-2-phenoxyacetamide
CID 103750843
N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-phenoxyacetamide
CID 110351364

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-2-phenoxyacetamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-2-phenoxyacetamide (CID 61245289) is N-(1-hydroxy-4-methylpentan-2-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)-2-phenoxyacetamide is CC(C)CC(CO)NC(=O)COc1ccccc1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)-2-phenoxyacetamide?
The InChIKey is XSSOKULOBYAXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-11(2)8-12(9-16)15-14(17)10-18-13-6-4-3-5-7-13/h3-7,11-12,16H,8-10H2,1-2H3,(H,15,17).
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)-2-phenoxyacetamide?
N-(1-hydroxy-4-methylpentan-2-yl)-2-phenoxyacetamide has a molecular weight of 251.33 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-2-yl)-2-phenoxyacetamide is sourced from PubChem (CID 61245289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).