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

C17H22N2O2 — CID 11914325

IUPACN-(4-acetamidophenyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)cc1
InChIInChI=1S/C17H22N2O2/c1-11(20)18-15-4-6-16(7-5-15)19-17(21)10-14-9-12-2-3-13(14)8-12/h4-7,12-14H,2-3,8-10H2,1H3,(H,18,20)(H,19,21)/t12-,13+,14-/m0/s1
InChIKeyMYXAEUPNLPUNSE-MJBXVCDLSA-N
MW286.38 g/mol
LogP3.41
Rot. Bonds4

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

N-(4-acetamidophenyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide (PubChem CID 11914325) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
PubChem CID11914325
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-(4-acetamidophenyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)cc1
InChIInChI=1S/C17H22N2O2/c1-11(20)18-15-4-6-16(7-5-15)19-17(21)10-14-9-12-2-3-13(14)8-12/h4-7,12-14H,2-3,8-10H2,1H3,(H,18,20)(H,19,21)/t12-,13+,14-/m0/s1
InChIKeyMYXAEUPNLPUNSE-MJBXVCDLSA-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

Analyze N-(4-acetamidophenyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-methylphenyl)acetamide
CID 7733743
N-(3-acetamidophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 18074570
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-fluorophenyl)acetamide
CID 7947448
methyl 4-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]benzoate
CID 43404005
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 11918943
methyl 2-[4-[[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]phenyl]acetate
CID 98750990
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-(3,5-dimethylphenyl)acetamide
CID 7774532
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3,5-dimethylphenyl)acetamide
CID 7774533
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-methyl-6-oxo-3-pyridinyl)acetamide
CID 47067439
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
CID 98588277
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 21175312

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide (CID 11914325) is N-(4-acetamidophenyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide is CC(=O)Nc1ccc(NC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide?
The InChIKey is MYXAEUPNLPUNSE-MJBXVCDLSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11(20)18-15-4-6-16(7-5-15)19-17(21)10-14-9-12-2-3-13(14)8-12/h4-7,12-14H,2-3,8-10H2,1H3,(H,18,20)(H,19,21)/t12-,13+,14-/m0/s1.
What are the key properties of N-(4-acetamidophenyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide?
N-(4-acetamidophenyl)-2-[(1R,2S,4S)-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-(4-acetamidophenyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide is sourced from PubChem (CID 11914325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).