2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-ethylphenyl)acetamide

C17H23NO — CID 7923830

IUPAC2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C17H23NO/c1-2-13-5-3-4-6-16(13)18-17(19)11-15-10-12-7-8-14(15)9-12/h3-6,12,14-15H,2,7-11H2,1H3,(H,18,19)/t12-,14-,15+/m0/s1
InChIKeyZPVHZTNYVLRJTQ-AEGPPILISA-N
MW257.38 g/mol
LogP4.01
Rot. Bonds4

About 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-ethylphenyl)acetamide

2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-ethylphenyl)acetamide (PubChem CID 7923830) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-ethylphenyl)acetamide
PubChem CID7923830
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C17H23NO/c1-2-13-5-3-4-6-16(13)18-17(19)11-15-10-12-7-8-14(15)9-12/h3-6,12,14-15H,2,7-11H2,1H3,(H,18,19)/t12-,14-,15+/m0/s1
InChIKeyZPVHZTNYVLRJTQ-AEGPPILISA-N
XLogP4.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methylphenyl)acetamide
CID 11923124
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2-iodophenyl)acetamide
CID 18556276
2-[[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]benzamide
CID 98435271
(1S,2R,4S)-N-(2-ethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7448839
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 98773906
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 18532249
N-(4-acetamidophenyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 11914325
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2-methyl-3-nitrophenyl)acetamide
CID 21175281
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
CID 98752000
2-[[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 98298900
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3-chloro-2,6-diethylphenyl)acetamide
CID 11934836
N-[4-[[2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 18558158

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-ethylphenyl)acetamide (CID 7923830) is 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-ethylphenyl)acetamide?
The InChIKey is ZPVHZTNYVLRJTQ-AEGPPILISA-N. The full InChI is InChI=1S/C17H23NO/c1-2-13-5-3-4-6-16(13)18-17(19)11-15-10-12-7-8-14(15)9-12/h3-6,12,14-15H,2,7-11H2,1H3,(H,18,19)/t12-,14-,15+/m0/s1.
What are the key properties of 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-ethylphenyl)acetamide?
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-ethylphenyl)acetamide has a molecular weight of 257.38 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 7923830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).