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

C18H26N2O — CID 11938740

IUPAC2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide
SMILESCN(C)c1ccc(CNC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)cc1
InChIInChI=1S/C18H26N2O/c1-20(2)17-7-4-13(5-8-17)12-19-18(21)11-16-10-14-3-6-15(16)9-14/h4-5,7-8,14-16H,3,6,9-12H2,1-2H3,(H,19,21)/t14-,15+,16-/m0/s1
InChIKeyOGJYZFREDAYTQM-XHSDSOJGSA-N
MW286.42 g/mol
LogP3.20
Rot. Bonds5

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

2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide (PubChem CID 11938740) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide
PubChem CID11938740
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide
SMILESCN(C)c1ccc(CNC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)cc1
InChIInChI=1S/C18H26N2O/c1-20(2)17-7-4-13(5-8-17)12-19-18(21)11-16-10-14-3-6-15(16)9-14/h4-5,7-8,14-16H,3,6,9-12H2,1-2H3,(H,19,21)/t14-,15+,16-/m0/s1
InChIKeyOGJYZFREDAYTQM-XHSDSOJGSA-N
XLogP3.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 18556191
N-benzyl-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 7732664
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 11915183
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8544787
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 11929369
4-[[[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]methyl]-N-[(2S)-butan-2-yl]benzamide
CID 129377106
4-[[[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]methyl]-N-[(2S)-butan-2-yl]benzamide
CID 98365689
5-[[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]methyl]pyridine-2-carboxylic acid
CID 81091312
N-[(3-amino-4-methoxyphenyl)methyl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 60971610
2-(2-bicyclo[2.2.1]heptanyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 19292382
methyl 5-[[[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]methyl]-2-methoxybenzoate
CID 98315209
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-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide?
The IUPAC name of 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide (CID 11938740) is 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide?
The canonical SMILES for 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide is CN(C)c1ccc(CNC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)cc1.
What is the InChIKey of 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide?
The InChIKey is OGJYZFREDAYTQM-XHSDSOJGSA-N. The full InChI is InChI=1S/C18H26N2O/c1-20(2)17-7-4-13(5-8-17)12-19-18(21)11-16-10-14-3-6-15(16)9-14/h4-5,7-8,14-16H,3,6,9-12H2,1-2H3,(H,19,21)/t14-,15+,16-/m0/s1.
What are the key properties of 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide?
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide has a molecular weight of 286.42 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide is sourced from PubChem (CID 11938740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).