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

C10H17NO2 — CID 96569471

IUPACN-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C10H17NO2/c1-13-6-10(12)11-9-5-7-2-3-8(9)4-7/h7-9H,2-6H2,1H3,(H,11,12)/t7-,8+,9+/m0/s1
InChIKeyOHYLHZKYVNNVDC-DJLDLDEBSA-N
MW183.25 g/mol
LogP0.94
Rot. Bonds3

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

N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-methoxyacetamide (PubChem CID 96569471) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-methoxyacetamide
PubChem CID96569471
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C10H17NO2/c1-13-6-10(12)11-9-5-7-2-3-8(9)4-7/h7-9H,2-6H2,1H3,(H,11,12)/t7-,8+,9+/m0/s1
InChIKeyOHYLHZKYVNNVDC-DJLDLDEBSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]propanamide
CID 98230994
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-chloroacetamide
CID 14619230
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2-methoxyphenoxy)acetamide
CID 124923600
N-(2-bicyclo[2.2.1]heptanyl)-2-(2-methoxyphenoxy)acetamide
CID 3968254
N-(2-adamantyl)-2-methoxyacetamide
CID 24659070
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-methylphenoxy)acetamide
CID 880138
N-(2-cyclopropyloxolan-3-yl)-2-methoxyacetamide
CID 103864240
methyl 2-(2-bicyclo[2.2.1]heptanylamino)acetate
CID 61309137
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenoxy)acetamide
CID 18555875
[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]urea
CID 98511353
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropanamide
CID 98231847
N-(2-bicyclo[2.2.1]heptanyl)-3-(diethylamino)propanamide
CID 3064442

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-methoxyacetamide?
The IUPAC name of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-methoxyacetamide (CID 96569471) is N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-methoxyacetamide.
What is the SMILES notation for N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-methoxyacetamide?
The canonical SMILES for N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-methoxyacetamide is COCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2.
What is the InChIKey of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-methoxyacetamide?
The InChIKey is OHYLHZKYVNNVDC-DJLDLDEBSA-N. The full InChI is InChI=1S/C10H17NO2/c1-13-6-10(12)11-9-5-7-2-3-8(9)4-7/h7-9H,2-6H2,1H3,(H,11,12)/t7-,8+,9+/m0/s1.
What are the key properties of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-methoxyacetamide?
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-methoxyacetamide has a molecular weight of 183.25 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-methoxyacetamide is sourced from PubChem (CID 96569471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).