N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-phenoxyacetamide

C17H23NO2 — CID 2932687

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-phenoxyacetamide
SMILESCC(NC(=O)COc1ccccc1)C1CC2CCC1C2
InChIInChI=1S/C17H23NO2/c1-12(16-10-13-7-8-14(16)9-13)18-17(19)11-20-15-5-3-2-4-6-15/h2-6,12-14,16H,7-11H2,1H3,(H,18,19)
InChIKeyREHPDLBEJOABFJ-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.01
Rot. Bonds5

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-phenoxyacetamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-phenoxyacetamide (PubChem CID 2932687) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-phenoxyacetamide
PubChem CID2932687
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-phenoxyacetamide
SMILESCC(NC(=O)COc1ccccc1)C1CC2CCC1C2
InChIInChI=1S/C17H23NO2/c1-12(16-10-13-7-8-14(16)9-13)18-17(19)11-20-15-5-3-2-4-6-15/h2-6,12-14,16H,7-11H2,1H3,(H,18,19)
InChIKeyREHPDLBEJOABFJ-UHFFFAOYSA-N
XLogP3.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(4-fluorophenoxy)acetamide
CID 3878614
N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(3-chlorophenoxy)acetamide
CID 98408218
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-chlorophenoxy)acetamide
CID 129376161
N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 98305688
phenyl N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]carbamate
CID 98080564
2-[2-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethoxy]benzamide
CID 98688995
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-cyanophenoxy)acetamide
CID 24698326
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,3-diphenylpropanamide
CID 4526880
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-quinazolin-4-yloxyacetamide
CID 98288358
[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] 3-(2-methoxy-2-oxoethoxy)benzoate
CID 154834372
N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethoxy]-2-methyl-2-phenylpropanamide
CID 56539794
N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-phthalazin-1-yloxyacetamide
CID 98307502

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-phenoxyacetamide (CID 2932687) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-phenoxyacetamide is CC(NC(=O)COc1ccccc1)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-phenoxyacetamide?
The InChIKey is REHPDLBEJOABFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-12(16-10-13-7-8-14(16)9-13)18-17(19)11-20-15-5-3-2-4-6-15/h2-6,12-14,16H,7-11H2,1H3,(H,18,19).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-phenoxyacetamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-phenoxyacetamide has a molecular weight of 273.38 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 2932687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).