(2R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(3,4-dimethylphenoxy)propanamide

C18H25NO2 — CID 124834114

IUPAC(2R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(3,4-dimethylphenoxy)propanamide
SMILESCc1ccc(O[C@H](C)C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)cc1C
InChIInChI=1S/C18H25NO2/c1-11-4-7-16(8-12(11)2)21-13(3)18(20)19-17-10-14-5-6-15(17)9-14/h4,7-8,13-15,17H,5-6,9-10H2,1-3H3,(H,19,20)/t13-,14+,15+,17+/m1/s1
InChIKeyGCJMPCYTWFREPM-AESZEHBQSA-N
MW287.40 g/mol
LogP3.38
Rot. Bonds4

About (2R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(3,4-dimethylphenoxy)propanamide

(2R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(3,4-dimethylphenoxy)propanamide (PubChem CID 124834114) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is (2R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(3,4-dimethylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(3,4-dimethylphenoxy)propanamide
PubChem CID124834114
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name(2R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(3,4-dimethylphenoxy)propanamide
SMILESCc1ccc(O[C@H](C)C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)cc1C
InChIInChI=1S/C18H25NO2/c1-11-4-7-16(8-12(11)2)21-13(3)18(20)19-17-10-14-5-6-15(17)9-14/h4,7-8,13-15,17H,5-6,9-10H2,1-3H3,(H,19,20)/t13-,14+,15+,17+/m1/s1
InChIKeyGCJMPCYTWFREPM-AESZEHBQSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(3,4-dimethylphenoxy)propanamide with MolForge

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Related Compounds

(2S)-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-fluorophenoxy)propanamide
CID 98112246
(2S)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2-methylphenoxy)propanamide
CID 100581699
(2S)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-naphthalen-1-yloxypropanamide
CID 98055966
(2S)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(4-methylphenoxy)butanamide
CID 124834235
(2R)-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 98238475
(2S)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2,5-dimethylphenoxy)butanamide
CID 99131455
N-(2-methyl-4-propan-2-yloxyphenyl)bicyclo[2.2.1]heptan-2-amine
CID 63451149
(2S)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-naphthalen-2-yloxybutanamide
CID 99131335
N'-[2-(3,4-dimethylphenoxy)propanoyl]cyclopropanecarbohydrazide
CID 17169360
1-N',4-N'-bis[2-(3,4-dimethylphenoxy)propanoyl]cyclohexane-1,4-dicarbohydrazide
CID 17169729
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-(3,4-dimethylphenyl)propanamide
CID 125057199
(2R)-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-fluorophenoxy)butanamide
CID 99131296

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(3,4-dimethylphenoxy)propanamide?
The IUPAC name of (2R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(3,4-dimethylphenoxy)propanamide (CID 124834114) is (2R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(3,4-dimethylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(3,4-dimethylphenoxy)propanamide?
The canonical SMILES for (2R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(3,4-dimethylphenoxy)propanamide is Cc1ccc(O[C@H](C)C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)cc1C.
What is the InChIKey of (2R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(3,4-dimethylphenoxy)propanamide?
The InChIKey is GCJMPCYTWFREPM-AESZEHBQSA-N. The full InChI is InChI=1S/C18H25NO2/c1-11-4-7-16(8-12(11)2)21-13(3)18(20)19-17-10-14-5-6-15(17)9-14/h4,7-8,13-15,17H,5-6,9-10H2,1-3H3,(H,19,20)/t13-,14+,15+,17+/m1/s1.
What are the key properties of (2R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(3,4-dimethylphenoxy)propanamide?
(2R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(3,4-dimethylphenoxy)propanamide has a molecular weight of 287.40 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(3,4-dimethylphenoxy)propanamide is sourced from PubChem (CID 124834114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).