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

C17H23NO3 — CID 18556175

IUPAC2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)C[C@@H]2C[C@@H]3CC[C@@H]2C3)c(OC)c1
InChIInChI=1S/C17H23NO3/c1-20-14-5-6-15(16(10-14)21-2)18-17(19)9-13-8-11-3-4-12(13)7-11/h5-6,10-13H,3-4,7-9H2,1-2H3,(H,18,19)/t11-,12-,13+/m1/s1
InChIKeyLVICIUVADXVPPE-UPJWGTAASA-N
MW289.38 g/mol
LogP3.47
Rot. Bonds5

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

2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2,4-dimethoxyphenyl)acetamide (PubChem CID 18556175) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2,4-dimethoxyphenyl)acetamide
PubChem CID18556175
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)C[C@@H]2C[C@@H]3CC[C@@H]2C3)c(OC)c1
InChIInChI=1S/C17H23NO3/c1-20-14-5-6-15(16(10-14)21-2)18-17(19)9-13-8-11-3-4-12(13)7-11/h5-6,10-13H,3-4,7-9H2,1-2H3,(H,18,19)/t11-,12-,13+/m1/s1
InChIKeyLVICIUVADXVPPE-UPJWGTAASA-N
XLogP3.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 7741033
2-[[2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]-4,5-dimethoxybenzoic acid
CID 6359208
N-[4-[[2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 18558158
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 11913995
2-(2-bicyclo[2.2.1]heptanyl)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 4810900
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 11914594
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 6599122
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 18556954
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 11915183
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 11914003
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-bromo-4-methylphenyl)acetamide
CID 11918994
N-(2,4-dimethoxyphenyl)bicyclo[2.2.1]heptan-2-amine
CID 61309711

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2,4-dimethoxyphenyl)acetamide (CID 18556175) is 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)C[C@@H]2C[C@@H]3CC[C@@H]2C3)c(OC)c1.
What is the InChIKey of 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2,4-dimethoxyphenyl)acetamide?
The InChIKey is LVICIUVADXVPPE-UPJWGTAASA-N. The full InChI is InChI=1S/C17H23NO3/c1-20-14-5-6-15(16(10-14)21-2)18-17(19)9-13-8-11-3-4-12(13)7-11/h5-6,10-13H,3-4,7-9H2,1-2H3,(H,18,19)/t11-,12-,13+/m1/s1.
What are the key properties of 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2,4-dimethoxyphenyl)acetamide?
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2,4-dimethoxyphenyl)acetamide has a molecular weight of 289.38 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 18556175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).