N-(1-hydroxy-4-methylpentan-3-yl)-2-phenoxyacetamide

C14H21NO3 — CID 103750843

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

About N-(1-hydroxy-4-methylpentan-3-yl)-2-phenoxyacetamide

N-(1-hydroxy-4-methylpentan-3-yl)-2-phenoxyacetamide (PubChem CID 103750843) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-3-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-3-yl)-2-phenoxyacetamide
PubChem CID103750843
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-(1-hydroxy-4-methylpentan-3-yl)-2-phenoxyacetamide
SMILESCC(C)C(CCO)NC(=O)COc1ccccc1
InChIInChI=1S/C14H21NO3/c1-11(2)13(8-9-16)15-14(17)10-18-12-6-4-3-5-7-12/h3-7,11,13,16H,8-10H2,1-2H3,(H,15,17)
InChIKeyNMRXPHMDOFKGLV-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-bromo-4-methylpentan-3-yl)-2-phenoxyacetamide
CID 106355216
2-(3-bromophenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 103782426
N-(1-bromo-3-methylbutan-2-yl)-2-phenoxyacetamide
CID 114316131
2-phenoxy-N-propan-2-ylacetamide
CID 3614481
N-(1-hydroxypropan-2-yl)-2-phenoxyacetamide
CID 43418917
N-(4-bromobutan-2-yl)-2-phenoxyacetamide
CID 83180352
2-(4-ethoxyphenyl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 103750718
3-methyl-2-[[2-(4-phenoxyphenoxy)acetyl]amino]butanoic acid
CID 3630383
4-(2-amino-2-oxoethoxy)-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 103750889
2-(4-chlorophenoxy)-N-[(2S)-3-methyl-1-phenylbutan-2-yl]acetamide
CID 95185642
2-(4-chlorophenoxy)-N-(3-methyl-1-phenylbutan-2-yl)acetamide
CID 53338213
N-(1-aminopropan-2-yl)-2-phenoxyacetamide
CID 63732380

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-2-phenoxyacetamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-2-phenoxyacetamide (CID 103750843) is N-(1-hydroxy-4-methylpentan-3-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-3-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-3-yl)-2-phenoxyacetamide is CC(C)C(CCO)NC(=O)COc1ccccc1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-3-yl)-2-phenoxyacetamide?
The InChIKey is NMRXPHMDOFKGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-11(2)13(8-9-16)15-14(17)10-18-12-6-4-3-5-7-12/h3-7,11,13,16H,8-10H2,1-2H3,(H,15,17).
What are the key properties of N-(1-hydroxy-4-methylpentan-3-yl)-2-phenoxyacetamide?
N-(1-hydroxy-4-methylpentan-3-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-3-yl)-2-phenoxyacetamide is sourced from PubChem (CID 103750843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).