N-(1-hydroxy-3-methylpentan-3-yl)-2-(2-propan-2-ylphenoxy)acetamide

C17H27NO3 — CID 103945627

IUPACN-(1-hydroxy-3-methylpentan-3-yl)-2-(2-propan-2-ylphenoxy)acetamide
SMILESCCC(C)(CCO)NC(=O)COc1ccccc1C(C)C
InChIInChI=1S/C17H27NO3/c1-5-17(4,10-11-19)18-16(20)12-21-15-9-7-6-8-14(15)13(2)3/h6-9,13,19H,5,10-12H2,1-4H3,(H,18,20)
InChIKeyYVWMBEJYLPLJTO-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.86
Rot. Bonds8

About N-(1-hydroxy-3-methylpentan-3-yl)-2-(2-propan-2-ylphenoxy)acetamide

N-(1-hydroxy-3-methylpentan-3-yl)-2-(2-propan-2-ylphenoxy)acetamide (PubChem CID 103945627) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylpentan-3-yl)-2-(2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylpentan-3-yl)-2-(2-propan-2-ylphenoxy)acetamide
PubChem CID103945627
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-(1-hydroxy-3-methylpentan-3-yl)-2-(2-propan-2-ylphenoxy)acetamide
SMILESCCC(C)(CCO)NC(=O)COc1ccccc1C(C)C
InChIInChI=1S/C17H27NO3/c1-5-17(4,10-11-19)18-16(20)12-21-15-9-7-6-8-14(15)13(2)3/h6-9,13,19H,5,10-12H2,1-4H3,(H,18,20)
InChIKeyYVWMBEJYLPLJTO-UHFFFAOYSA-N
XLogP2.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyanophenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 103945669
2-(4-ethoxyphenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 103945438
N-propan-2-yl-2-(2-propan-2-ylphenoxy)acetamide
CID 19168088
N-(2,3-dihydroxy-2-methylpropyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 66170658
N-(1,3-dihydroxypropan-2-yl)-2-(2-propan-2-ylphenoxy)acetamide
CID 65315716
N-(6-hydroxyhexyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 103919361
1-N',5-N'-bis[2-(2-propan-2-ylphenoxy)acetyl]pentanedihydrazide
CID 3554714
2-(3,5-dimethylphenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 103945468
N-(2,2-difluoro-3-hydroxypropyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 104858235
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 114750966
2-(5-chloroquinolin-8-yl)oxy-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 110002595
2-(2-propan-2-ylphenoxy)-N-[8-[[2-(2-propan-2-ylphenoxy)acetyl]amino]octyl]acetamide
CID 17233327

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-2-(2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-2-(2-propan-2-ylphenoxy)acetamide (CID 103945627) is N-(1-hydroxy-3-methylpentan-3-yl)-2-(2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(1-hydroxy-3-methylpentan-3-yl)-2-(2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(1-hydroxy-3-methylpentan-3-yl)-2-(2-propan-2-ylphenoxy)acetamide is CCC(C)(CCO)NC(=O)COc1ccccc1C(C)C.
What is the InChIKey of N-(1-hydroxy-3-methylpentan-3-yl)-2-(2-propan-2-ylphenoxy)acetamide?
The InChIKey is YVWMBEJYLPLJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-5-17(4,10-11-19)18-16(20)12-21-15-9-7-6-8-14(15)13(2)3/h6-9,13,19H,5,10-12H2,1-4H3,(H,18,20).
What are the key properties of N-(1-hydroxy-3-methylpentan-3-yl)-2-(2-propan-2-ylphenoxy)acetamide?
N-(1-hydroxy-3-methylpentan-3-yl)-2-(2-propan-2-ylphenoxy)acetamide has a molecular weight of 293.41 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylpentan-3-yl)-2-(2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 103945627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).