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

C16H21NO2 — CID 880138

IUPACN-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)N[C@@H]1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C16H21NO2/c1-11-4-2-3-5-15(11)19-10-16(18)17-14-9-12-6-7-13(14)8-12/h2-5,12-14H,6-10H2,1H3,(H,17,18)/t12-,13+,14-/m1/s1
InChIKeyWQVAHPKRFZCAOX-HZSPNIEDSA-N
MW259.35 g/mol
LogP2.68
Rot. Bonds4

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

N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-methylphenoxy)acetamide (PubChem CID 880138) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-methylphenoxy)acetamide
PubChem CID880138
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)N[C@@H]1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C16H21NO2/c1-11-4-2-3-5-15(11)19-10-16(18)17-14-9-12-6-7-13(14)8-12/h2-5,12-14H,6-10H2,1H3,(H,17,18)/t12-,13+,14-/m1/s1
InChIKeyWQVAHPKRFZCAOX-HZSPNIEDSA-N
XLogP2.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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-bicyclo[2.2.1]heptanyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 133256716
(2S)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2-methylphenoxy)propanamide
CID 100581699
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2-methylphenoxy)acetamide
CID 3892335
N-(2-bicyclo[2.2.1]heptanyl)-2-(2-methylphenoxy)butanamide
CID 43916086
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2,4-dichlorophenoxy)acetamide
CID 1338660
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylbenzamide
CID 958830
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenoxy)acetamide
CID 18555875
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-methoxyacetamide
CID 96569471
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(3-chlorophenoxy)acetamide
CID 98737694
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-(2-methylphenoxy)acetamide;formic acid
CID 163341407

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-methylphenoxy)acetamide (CID 880138) is N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)N[C@@H]1C[C@@H]2CC[C@H]1C2.
What is the InChIKey of N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-methylphenoxy)acetamide?
The InChIKey is WQVAHPKRFZCAOX-HZSPNIEDSA-N. The full InChI is InChI=1S/C16H21NO2/c1-11-4-2-3-5-15(11)19-10-16(18)17-14-9-12-6-7-13(14)8-12/h2-5,12-14H,6-10H2,1H3,(H,17,18)/t12-,13+,14-/m1/s1.
What are the key properties of N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-methylphenoxy)acetamide?
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-methylphenoxy)acetamide has a molecular weight of 259.35 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 880138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).