2-(2-bicyclo[2.2.1]heptanyl)-N-(2-hydroxy-3-phenylpropyl)acetamide

C18H25NO2 — CID 111102449

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-(2-hydroxy-3-phenylpropyl)acetamide
SMILESO=C(CC1CC2CCC1C2)NCC(O)Cc1ccccc1
InChIInChI=1S/C18H25NO2/c20-17(10-13-4-2-1-3-5-13)12-19-18(21)11-16-9-14-6-7-15(16)8-14/h1-5,14-17,20H,6-12H2,(H,19,21)
InChIKeyAYPWRPDCKGEXDG-UHFFFAOYSA-N
MW287.40 g/mol
LogP2.53
Rot. Bonds6

About 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-hydroxy-3-phenylpropyl)acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-(2-hydroxy-3-phenylpropyl)acetamide (PubChem CID 111102449) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-hydroxy-3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-(2-hydroxy-3-phenylpropyl)acetamide
PubChem CID111102449
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-(2-hydroxy-3-phenylpropyl)acetamide
SMILESO=C(CC1CC2CCC1C2)NCC(O)Cc1ccccc1
InChIInChI=1S/C18H25NO2/c20-17(10-13-4-2-1-3-5-13)12-19-18(21)11-16-9-14-6-7-15(16)8-14/h1-5,14-17,20H,6-12H2,(H,19,21)
InChIKeyAYPWRPDCKGEXDG-UHFFFAOYSA-N
XLogP2.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 7732664
3-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-2-phenylpropanoic acid
CID 119254834
2-(2-bicyclo[2.2.1]heptanyl)-N-(2,3-dihydroxypropyl)acetamide
CID 66177065
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-3-phenylpropan-2-yl)acetamide
CID 63261025
2-(2-bicyclo[2.2.1]heptanyl)-N-[(2R)-2-hydroxybutyl]acetamide
CID 126836505
benzyl 2-[[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]acetate
CID 11920174
(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylpropanamide
CID 63683495
2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]acetamide
CID 71924916
2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxy-3-phenylpropyl)acetamide
CID 111386383
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2-chlorophenyl)methyl]acetamide
CID 9165301
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[(2-fluorophenyl)methyl]acetamide
CID 21174603
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]acetamide
CID 98598979

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-hydroxy-3-phenylpropyl)acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-hydroxy-3-phenylpropyl)acetamide (CID 111102449) is 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-hydroxy-3-phenylpropyl)acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-hydroxy-3-phenylpropyl)acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-hydroxy-3-phenylpropyl)acetamide is O=C(CC1CC2CCC1C2)NCC(O)Cc1ccccc1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-hydroxy-3-phenylpropyl)acetamide?
The InChIKey is AYPWRPDCKGEXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c20-17(10-13-4-2-1-3-5-13)12-19-18(21)11-16-9-14-6-7-15(16)8-14/h1-5,14-17,20H,6-12H2,(H,19,21).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-(2-hydroxy-3-phenylpropyl)acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-(2-hydroxy-3-phenylpropyl)acetamide has a molecular weight of 287.40 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 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-(2-hydroxy-3-phenylpropyl)acetamide is sourced from PubChem (CID 111102449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).