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

C17H23NO2 — CID 100581699

IUPAC(2S)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2-methylphenoxy)propanamide
SMILESCc1ccccc1O[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C17H23NO2/c1-11-5-3-4-6-16(11)20-12(2)17(19)18-15-10-13-7-8-14(15)9-13/h3-6,12-15H,7-10H2,1-2H3,(H,18,19)/t12-,13-,14-,15-/m0/s1
InChIKeyRXWAGMIDSQCZLQ-AJNGGQMLSA-N
MW273.38 g/mol
LogP3.07
Rot. Bonds4

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

(2S)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2-methylphenoxy)propanamide (PubChem CID 100581699) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is (2S)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2-methylphenoxy)propanamide
PubChem CID100581699
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name(2S)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2-methylphenoxy)propanamide
SMILESCc1ccccc1O[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C17H23NO2/c1-11-5-3-4-6-16(11)20-12(2)17(19)18-15-10-13-7-8-14(15)9-13/h3-6,12-15H,7-10H2,1-2H3,(H,18,19)/t12-,13-,14-,15-/m0/s1
InChIKeyRXWAGMIDSQCZLQ-AJNGGQMLSA-N
XLogP3.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

(2S)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-naphthalen-1-yloxypropanamide
CID 98055966
N-(2-bicyclo[2.2.1]heptanyl)-2-(2-methylphenoxy)butanamide
CID 43916086
(2R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(3,4-dimethylphenoxy)propanamide
CID 124834114
(2S)-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-fluorophenoxy)propanamide
CID 98112246
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-methylphenoxy)acetamide
CID 880138
(2S)-N-cyclooctyl-2-(2-methylphenoxy)propanamide
CID 94842700
(2S)-2-(2-methylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 27232779
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylbenzamide
CID 958830
N-(2-bicyclo[2.2.1]heptanyl)-2-(2,4-dimethylphenoxy)butanamide
CID 53289081
(2S)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2,5-dimethylphenoxy)butanamide
CID 99131455
(2S)-N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-phenylsulfanylpropanamide
CID 881755
(2R)-2-(2-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 27233966

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2-methylphenoxy)propanamide?
The IUPAC name of (2S)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2-methylphenoxy)propanamide (CID 100581699) is (2S)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2-methylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2-methylphenoxy)propanamide?
The canonical SMILES for (2S)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2-methylphenoxy)propanamide is Cc1ccccc1O[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of (2S)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2-methylphenoxy)propanamide?
The InChIKey is RXWAGMIDSQCZLQ-AJNGGQMLSA-N. The full InChI is InChI=1S/C17H23NO2/c1-11-5-3-4-6-16(11)20-12(2)17(19)18-15-10-13-7-8-14(15)9-13/h3-6,12-15H,7-10H2,1-2H3,(H,18,19)/t12-,13-,14-,15-/m0/s1.
What are the key properties of (2S)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2-methylphenoxy)propanamide?
(2S)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2-methylphenoxy)propanamide has a molecular weight of 273.38 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2-methylphenoxy)propanamide is sourced from PubChem (CID 100581699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).