N-[(1R)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-tert-butyl-4-methylphenoxy)acetamide

C22H33NO2 — CID 50904841

IUPACN-[(1R)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-tert-butyl-4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@H]2C3)c(C(C)(C)C)c1
InChIInChI=1S/C22H33NO2/c1-14-6-9-20(19(10-14)22(3,4)5)25-13-21(24)23-15(2)18-12-16-7-8-17(18)11-16/h6,9-10,15-18H,7-8,11-13H2,1-5H3,(H,23,24)/t15-,16-,17+,18-/m1/s1
InChIKeyOWXUMEOFCLZJEU-ZJPYXAASSA-N
MW343.51 g/mol
LogP4.61
Rot. Bonds5

About N-[(1R)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-tert-butyl-4-methylphenoxy)acetamide

N-[(1R)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-tert-butyl-4-methylphenoxy)acetamide (PubChem CID 50904841) has the molecular formula C22H33NO2 and a molecular weight of 343.51 g/mol. Its IUPAC name is N-[(1R)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-tert-butyl-4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-tert-butyl-4-methylphenoxy)acetamide
PubChem CID50904841
Molecular FormulaC22H33NO2
Molecular Weight343.51 g/mol
Exact Mass343.25
IUPAC NameN-[(1R)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-tert-butyl-4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@H]2C3)c(C(C)(C)C)c1
InChIInChI=1S/C22H33NO2/c1-14-6-9-20(19(10-14)22(3,4)5)25-13-21(24)23-15(2)18-12-16-7-8-17(18)11-16/h6,9-10,15-18H,7-8,11-13H2,1-5H3,(H,23,24)/t15-,16-,17+,18-/m1/s1
InChIKeyOWXUMEOFCLZJEU-ZJPYXAASSA-N
XLogP4.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-chloro-2-methylphenoxy)acetamide
CID 897091
[2-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
CID 98288932
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(4-bromo-2-fluorophenoxy)acetamide
CID 42970246
N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 98408205
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-chlorophenoxy)acetamide
CID 129376161
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(4-fluorophenoxy)acetamide
CID 3878614
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-phenoxyacetamide
CID 2932687
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2,3,5,6-tetrafluorophenoxy)acetamide
CID 98370549
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-chloro-4-cyanophenoxy)acetamide
CID 98750854
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
methyl (E)-3-[4-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethoxy]-3-methoxyphenyl]prop-2-enoate
CID 46535842

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-tert-butyl-4-methylphenoxy)acetamide?
The IUPAC name of N-[(1R)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-tert-butyl-4-methylphenoxy)acetamide (CID 50904841) is N-[(1R)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-tert-butyl-4-methylphenoxy)acetamide.
What is the SMILES notation for N-[(1R)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-tert-butyl-4-methylphenoxy)acetamide?
The canonical SMILES for N-[(1R)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-tert-butyl-4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@H]2C3)c(C(C)(C)C)c1.
What is the InChIKey of N-[(1R)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-tert-butyl-4-methylphenoxy)acetamide?
The InChIKey is OWXUMEOFCLZJEU-ZJPYXAASSA-N. The full InChI is InChI=1S/C22H33NO2/c1-14-6-9-20(19(10-14)22(3,4)5)25-13-21(24)23-15(2)18-12-16-7-8-17(18)11-16/h6,9-10,15-18H,7-8,11-13H2,1-5H3,(H,23,24)/t15-,16-,17+,18-/m1/s1.
What are the key properties of N-[(1R)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-tert-butyl-4-methylphenoxy)acetamide?
N-[(1R)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-tert-butyl-4-methylphenoxy)acetamide has a molecular weight of 343.51 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-tert-butyl-4-methylphenoxy)acetamide is sourced from PubChem (CID 50904841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).