N-(6-hydroxyhexyl)-2-(2-propan-2-ylphenoxy)acetamide

C17H27NO3 — CID 103919361

IUPACN-(6-hydroxyhexyl)-2-(2-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccccc1OCC(=O)NCCCCCCO
InChIInChI=1S/C17H27NO3/c1-14(2)15-9-5-6-10-16(15)21-13-17(20)18-11-7-3-4-8-12-19/h5-6,9-10,14,19H,3-4,7-8,11-13H2,1-2H3,(H,18,20)
InChIKeySSLKRWVSHBIHKS-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.86
Rot. Bonds10

About N-(6-hydroxyhexyl)-2-(2-propan-2-ylphenoxy)acetamide

N-(6-hydroxyhexyl)-2-(2-propan-2-ylphenoxy)acetamide (PubChem CID 103919361) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(6-hydroxyhexyl)-2-(2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(6-hydroxyhexyl)-2-(2-propan-2-ylphenoxy)acetamide
PubChem CID103919361
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-(6-hydroxyhexyl)-2-(2-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccccc1OCC(=O)NCCCCCCO
InChIInChI=1S/C17H27NO3/c1-14(2)15-9-5-6-10-16(15)21-13-17(20)18-11-7-3-4-8-12-19/h5-6,9-10,14,19H,3-4,7-8,11-13H2,1-2H3,(H,18,20)
InChIKeySSLKRWVSHBIHKS-UHFFFAOYSA-N
XLogP2.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-propan-2-ylphenoxy)-N-[8-[[2-(2-propan-2-ylphenoxy)acetyl]amino]octyl]acetamide
CID 17233327
N-(4-hydroxybutyl)-2-(2-hydroxyphenoxy)acetamide
CID 106843375
2-hydroxy-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]butanoic acid
CID 107832254
N-[2-(3-chlorophenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 39731176
N-(pentylcarbamothioyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 19188192
1-N',5-N'-bis[2-(2-propan-2-ylphenoxy)acetyl]pentanedihydrazide
CID 3554714
N-propan-2-yl-2-(2-propan-2-ylphenoxy)acetamide
CID 19168088
N-(2-chloroprop-2-enyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 113238561
N-(2,2-difluoro-3-hydroxypropyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 104858235
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-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 114750966

Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxyhexyl)-2-(2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(6-hydroxyhexyl)-2-(2-propan-2-ylphenoxy)acetamide (CID 103919361) is N-(6-hydroxyhexyl)-2-(2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(6-hydroxyhexyl)-2-(2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(6-hydroxyhexyl)-2-(2-propan-2-ylphenoxy)acetamide is CC(C)c1ccccc1OCC(=O)NCCCCCCO.
What is the InChIKey of N-(6-hydroxyhexyl)-2-(2-propan-2-ylphenoxy)acetamide?
The InChIKey is SSLKRWVSHBIHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-14(2)15-9-5-6-10-16(15)21-13-17(20)18-11-7-3-4-8-12-19/h5-6,9-10,14,19H,3-4,7-8,11-13H2,1-2H3,(H,18,20).
What are the key properties of N-(6-hydroxyhexyl)-2-(2-propan-2-ylphenoxy)acetamide?
N-(6-hydroxyhexyl)-2-(2-propan-2-ylphenoxy)acetamide has a molecular weight of 293.41 g/mol, XLogP of 2.86, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxyhexyl)-2-(2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 103919361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).