N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-hydroxyphenoxy)acetamide

C17H23NO3 — CID 78843390

IUPACN-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-hydroxyphenoxy)acetamide
SMILESO=C(COc1ccccc1O)NCCC1CC2CCC1C2
InChIInChI=1S/C17H23NO3/c19-15-3-1-2-4-16(15)21-11-17(20)18-8-7-14-10-12-5-6-13(14)9-12/h1-4,12-14,19H,5-11H2,(H,18,20)
InChIKeyMZHBAXDBNXNDOZ-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.71
Rot. Bonds6

About N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-hydroxyphenoxy)acetamide

N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-hydroxyphenoxy)acetamide (PubChem CID 78843390) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-hydroxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-hydroxyphenoxy)acetamide
PubChem CID78843390
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC NameN-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-hydroxyphenoxy)acetamide
SMILESO=C(COc1ccccc1O)NCCC1CC2CCC1C2
InChIInChI=1S/C17H23NO3/c19-15-3-1-2-4-16(15)21-11-17(20)18-8-7-14-10-12-5-6-13(14)9-12/h1-4,12-14,19H,5-11H2,(H,18,20)
InChIKeyMZHBAXDBNXNDOZ-UHFFFAOYSA-N
XLogP2.71
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 11944434
2-(1,2-benzoxazol-3-yl)-N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]acetamide
CID 98755527
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-cyanophenoxy)acetyl]acetohydrazide
CID 11923494
N-(4-hydroxybutyl)-2-(2-hydroxyphenoxy)acetamide
CID 106843375
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 21175121
[2-oxo-2-(2-phenoxyethylamino)ethyl] 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11929122
N-cyclopropyl-2-(2-hydroxyphenoxy)acetamide
CID 2687934
N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 98790472
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119735957
methyl 3-[[2-(2-hydroxyphenoxy)acetyl]amino]propanoate
CID 60637211
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2-methoxyphenoxy)acetamide
CID 124923600
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-methylphenoxy)acetamide
CID 880138

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-hydroxyphenoxy)acetamide?
The IUPAC name of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-hydroxyphenoxy)acetamide (CID 78843390) is N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-hydroxyphenoxy)acetamide.
What is the SMILES notation for N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-hydroxyphenoxy)acetamide?
The canonical SMILES for N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-hydroxyphenoxy)acetamide is O=C(COc1ccccc1O)NCCC1CC2CCC1C2.
What is the InChIKey of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-hydroxyphenoxy)acetamide?
The InChIKey is MZHBAXDBNXNDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c19-15-3-1-2-4-16(15)21-11-17(20)18-8-7-14-10-12-5-6-13(14)9-12/h1-4,12-14,19H,5-11H2,(H,18,20).
What are the key properties of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-hydroxyphenoxy)acetamide?
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-hydroxyphenoxy)acetamide has a molecular weight of 289.37 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-hydroxyphenoxy)acetamide is sourced from PubChem (CID 78843390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).