(2S)-N-cyclooctyl-2-(2-methylphenoxy)propanamide

C18H27NO2 — CID 94842700

IUPAC(2S)-N-cyclooctyl-2-(2-methylphenoxy)propanamide
SMILESCc1ccccc1O[C@@H](C)C(=O)NC1CCCCCCC1
InChIInChI=1S/C18H27NO2/c1-14-10-8-9-13-17(14)21-15(2)18(20)19-16-11-6-4-3-5-7-12-16/h8-10,13,15-16H,3-7,11-12H2,1-2H3,(H,19,20)/t15-/m0/s1
InChIKeyBVLJWYFFOFXTHC-HNNXBMFYSA-N
MW289.42 g/mol
LogP3.99
Rot. Bonds4

About (2S)-N-cyclooctyl-2-(2-methylphenoxy)propanamide

(2S)-N-cyclooctyl-2-(2-methylphenoxy)propanamide (PubChem CID 94842700) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is (2S)-N-cyclooctyl-2-(2-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-cyclooctyl-2-(2-methylphenoxy)propanamide
PubChem CID94842700
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name(2S)-N-cyclooctyl-2-(2-methylphenoxy)propanamide
SMILESCc1ccccc1O[C@@H](C)C(=O)NC1CCCCCCC1
InChIInChI=1S/C18H27NO2/c1-14-10-8-9-13-17(14)21-15(2)18(20)19-16-11-6-4-3-5-7-12-16/h8-10,13,15-16H,3-7,11-12H2,1-2H3,(H,19,20)/t15-/m0/s1
InChIKeyBVLJWYFFOFXTHC-HNNXBMFYSA-N
XLogP3.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-N-cyclooctyl-2-(2-methylphenoxy)propanamide 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-cycloheptyl-2-(2,3-dimethylphenoxy)propanamide
CID 46771593
N-cyclohexyl-2-(2-methoxyphenoxy)propanamide
CID 5003306
(2S)-2-(2-methylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 27232779
(2S)-N-cycloheptyl-2-(2-ethylphenoxy)propanamide
CID 93488429
N-cycloheptyl-2-(2-propan-2-ylphenoxy)propanamide
CID 43904274
(2S)-N-cyclopentyl-2-(2-methoxyphenoxy)propanamide
CID 42082135
2-(2-acetylphenoxy)-N-cyclohexylpropanamide
CID 43083117
(2R)-2-(2-acetamidophenoxy)-N-cyclohexylpropanamide
CID 9111099
(2R)-N-cyclopropyl-2-(2,3-dimethylphenoxy)propanamide
CID 39717598
2-(4-chloro-2-methylphenoxy)-N-cycloheptylpropanamide
CID 2932831
(2R)-N-cycloheptyl-2-phenoxypropanamide
CID 669971
(2R)-2-(2-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 27233966

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclooctyl-2-(2-methylphenoxy)propanamide?
The IUPAC name of (2S)-N-cyclooctyl-2-(2-methylphenoxy)propanamide (CID 94842700) is (2S)-N-cyclooctyl-2-(2-methylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-cyclooctyl-2-(2-methylphenoxy)propanamide?
The canonical SMILES for (2S)-N-cyclooctyl-2-(2-methylphenoxy)propanamide is Cc1ccccc1O[C@@H](C)C(=O)NC1CCCCCCC1.
What is the InChIKey of (2S)-N-cyclooctyl-2-(2-methylphenoxy)propanamide?
The InChIKey is BVLJWYFFOFXTHC-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-14-10-8-9-13-17(14)21-15(2)18(20)19-16-11-6-4-3-5-7-12-16/h8-10,13,15-16H,3-7,11-12H2,1-2H3,(H,19,20)/t15-/m0/s1.
What are the key properties of (2S)-N-cyclooctyl-2-(2-methylphenoxy)propanamide?
(2S)-N-cyclooctyl-2-(2-methylphenoxy)propanamide has a molecular weight of 289.42 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclooctyl-2-(2-methylphenoxy)propanamide is sourced from PubChem (CID 94842700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).