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

C17H22N2O2 — CID 18074570

IUPACN-(3-acetamidophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CC2CC3CCC2C3)c1
InChIInChI=1S/C17H22N2O2/c1-11(20)18-15-3-2-4-16(10-15)19-17(21)9-14-8-12-5-6-13(14)7-12/h2-4,10,12-14H,5-9H2,1H3,(H,18,20)(H,19,21)
InChIKeyWPRMVVBRSGTPOE-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.41
Rot. Bonds4

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

N-(3-acetamidophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide (PubChem CID 18074570) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
PubChem CID18074570
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-(3-acetamidophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CC2CC3CCC2C3)c1
InChIInChI=1S/C17H22N2O2/c1-11(20)18-15-3-2-4-16(10-15)19-17(21)9-14-8-12-5-6-13(14)7-12/h2-4,10,12-14H,5-9H2,1H3,(H,18,20)(H,19,21)
InChIKeyWPRMVVBRSGTPOE-UHFFFAOYSA-N
XLogP3.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 11914325
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3-methylsulfanylphenyl)acetamide
CID 11918482
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-(hydroxymethyl)phenyl]acetamide
CID 11938722
2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(methylaminomethyl)phenyl]acetamide
CID 43601980
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 11936521
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-naphthalen-2-ylacetamide
CID 23307105
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-naphthalen-2-ylacetamide
CID 7740170
N-(3-acetamido-4-methoxyphenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 134050966
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-methylphenyl)acetamide
CID 7733743
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3,5-dimethylphenyl)acetamide
CID 7774532
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3,5-dimethylphenyl)acetamide
CID 7774533
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[3-(1,3-dihydroisoindol-2-yl)phenyl]acetamide
CID 98077490

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide (CID 18074570) is N-(3-acetamidophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide is CC(=O)Nc1cccc(NC(=O)CC2CC3CCC2C3)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide?
The InChIKey is WPRMVVBRSGTPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11(20)18-15-3-2-4-16(10-15)19-17(21)9-14-8-12-5-6-13(14)7-12/h2-4,10,12-14H,5-9H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-(3-acetamidophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide?
N-(3-acetamidophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide has a molecular weight of 286.38 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide is sourced from PubChem (CID 18074570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).