2-(2-bicyclo[2.2.1]heptanyl)-N-(3-hydroxyphenyl)-N-methylacetamide

C16H21NO2 — CID 107736090

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-(3-hydroxyphenyl)-N-methylacetamide
SMILESCN(C(=O)CC1CC2CCC1C2)c1cccc(O)c1
InChIInChI=1S/C16H21NO2/c1-17(14-3-2-4-15(18)10-14)16(19)9-13-8-11-5-6-12(13)7-11/h2-4,10-13,18H,5-9H2,1H3
InChIKeyFEAQPZYJXCQNFP-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.18
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-hydroxyphenyl)-N-methylacetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-(3-hydroxyphenyl)-N-methylacetamide (PubChem CID 107736090) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-hydroxyphenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-(3-hydroxyphenyl)-N-methylacetamide
PubChem CID107736090
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-(3-hydroxyphenyl)-N-methylacetamide
SMILESCN(C(=O)CC1CC2CCC1C2)c1cccc(O)c1
InChIInChI=1S/C16H21NO2/c1-17(14-3-2-4-15(18)10-14)16(19)9-13-8-11-5-6-12(13)7-11/h2-4,10-13,18H,5-9H2,1H3
InChIKeyFEAQPZYJXCQNFP-UHFFFAOYSA-N
XLogP3.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-N-(4-cyanophenyl)-N-methylacetamide
CID 62982751
2-(2-bicyclo[2.2.1]heptanyl)-N,N-dimethylacetamide
CID 42910279
2-(cyclopentylamino)-N-(3-hydroxyphenyl)-N-methylacetamide
CID 107734715
N-benzhydryl-2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-methylacetamide
CID 21174649
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylacetamide
CID 11919743
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylacetamide
CID 18557275
N-[(3-aminophenyl)methyl]-2-(2-bicyclo[2.2.1]heptanyl)-N-ethylacetamide
CID 43458967
4-[(3-hydroxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 107737513
2-(1-aminocyclobutyl)-N-(3-hydroxyphenyl)-N-methylacetamide
CID 107734828
2-(2,3-dihydro-1H-indol-3-yl)-N-(3-hydroxyphenyl)-N-methylacetamide
CID 107734732
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 98545136
N-(3-hydroxyphenyl)-N-methylpentanamide
CID 107735913

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-hydroxyphenyl)-N-methylacetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-hydroxyphenyl)-N-methylacetamide (CID 107736090) is 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-hydroxyphenyl)-N-methylacetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-hydroxyphenyl)-N-methylacetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-hydroxyphenyl)-N-methylacetamide is CN(C(=O)CC1CC2CCC1C2)c1cccc(O)c1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-hydroxyphenyl)-N-methylacetamide?
The InChIKey is FEAQPZYJXCQNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-17(14-3-2-4-15(18)10-14)16(19)9-13-8-11-5-6-12(13)7-11/h2-4,10-13,18H,5-9H2,1H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-hydroxyphenyl)-N-methylacetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-hydroxyphenyl)-N-methylacetamide has a molecular weight of 259.35 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-hydroxyphenyl)-N-methylacetamide is sourced from PubChem (CID 107736090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).