N-(4-hydroxybutan-2-yl)-2-(4-propan-2-ylphenoxy)acetamide

C15H23NO3 — CID 81042144

IUPACN-(4-hydroxybutan-2-yl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(CCO)NC(=O)COc1ccc(C(C)C)cc1
InChIInChI=1S/C15H23NO3/c1-11(2)13-4-6-14(7-5-13)19-10-15(18)16-12(3)8-9-17/h4-7,11-12,17H,8-10H2,1-3H3,(H,16,18)
InChIKeyBIFKVZMNOJGIFL-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.08
Rot. Bonds7

About N-(4-hydroxybutan-2-yl)-2-(4-propan-2-ylphenoxy)acetamide

N-(4-hydroxybutan-2-yl)-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 81042144) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-(4-hydroxybutan-2-yl)-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-hydroxybutan-2-yl)-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID81042144
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-(4-hydroxybutan-2-yl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(CCO)NC(=O)COc1ccc(C(C)C)cc1
InChIInChI=1S/C15H23NO3/c1-11(2)13-4-6-14(7-5-13)19-10-15(18)16-12(3)8-9-17/h4-7,11-12,17H,8-10H2,1-3H3,(H,16,18)
InChIKeyBIFKVZMNOJGIFL-UHFFFAOYSA-N
XLogP2.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-propan-2-ylphenoxy)acetohydrazide
CID 968935
2-(4-chlorophenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 39086751
2-phenyl-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid
CID 119113417
N-[(2R)-1-hydroxypropan-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 79031134
2-[4-(1-aminopropyl)phenoxy]-N-pentan-2-ylacetamide
CID 61489836
N-(1-aminohexan-2-yl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride
CID 119667507
2-(4-bromophenoxy)-N-(5-methylhexan-2-yl)acetamide
CID 112789363
2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid
CID 9157069
1-N',9-N'-bis[2-(4-propan-2-ylphenoxy)acetyl]nonanedihydrazide
CID 4506492
2-(4-aminophenoxy)-N-(6-methylheptan-2-yl)acetamide
CID 61036016
N-(1-hydroxypropan-2-yl)-2-phenoxyacetamide
CID 43418917
methyl 4-[2-[[(2S)-5-methylhexan-2-yl]amino]-2-oxoethoxy]benzoate
CID 9019633

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutan-2-yl)-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(4-hydroxybutan-2-yl)-2-(4-propan-2-ylphenoxy)acetamide (CID 81042144) is N-(4-hydroxybutan-2-yl)-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(4-hydroxybutan-2-yl)-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(4-hydroxybutan-2-yl)-2-(4-propan-2-ylphenoxy)acetamide is CC(CCO)NC(=O)COc1ccc(C(C)C)cc1.
What is the InChIKey of N-(4-hydroxybutan-2-yl)-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is BIFKVZMNOJGIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(2)13-4-6-14(7-5-13)19-10-15(18)16-12(3)8-9-17/h4-7,11-12,17H,8-10H2,1-3H3,(H,16,18).
What are the key properties of N-(4-hydroxybutan-2-yl)-2-(4-propan-2-ylphenoxy)acetamide?
N-(4-hydroxybutan-2-yl)-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 265.35 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutan-2-yl)-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 81042144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).