(2S)-N-cyclooctyl-2-naphthalen-2-yloxybutanamide

C22H29NO2 — CID 92673860

IUPAC(2S)-N-cyclooctyl-2-naphthalen-2-yloxybutanamide
SMILESCC[C@H](Oc1ccc2ccccc2c1)C(=O)NC1CCCCCCC1
InChIInChI=1S/C22H29NO2/c1-2-21(22(24)23-19-12-6-4-3-5-7-13-19)25-20-15-14-17-10-8-9-11-18(17)16-20/h8-11,14-16,19,21H,2-7,12-13H2,1H3,(H,23,24)/t21-/m0/s1
InChIKeyABDZDBRNBPQYLI-NRFANRHFSA-N
MW339.48 g/mol
LogP5.23
Rot. Bonds5

About (2S)-N-cyclooctyl-2-naphthalen-2-yloxybutanamide

(2S)-N-cyclooctyl-2-naphthalen-2-yloxybutanamide (PubChem CID 92673860) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is (2S)-N-cyclooctyl-2-naphthalen-2-yloxybutanamide.

Molecular Properties

Compound Name(2S)-N-cyclooctyl-2-naphthalen-2-yloxybutanamide
PubChem CID92673860
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name(2S)-N-cyclooctyl-2-naphthalen-2-yloxybutanamide
SMILESCC[C@H](Oc1ccc2ccccc2c1)C(=O)NC1CCCCCCC1
InChIInChI=1S/C22H29NO2/c1-2-21(22(24)23-19-12-6-4-3-5-7-13-19)25-20-15-14-17-10-8-9-11-18(17)16-20/h8-11,14-16,19,21H,2-7,12-13H2,1H3,(H,23,24)/t21-/m0/s1
InChIKeyABDZDBRNBPQYLI-NRFANRHFSA-N
XLogP5.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-N-cyclooctyl-2-naphthalen-2-yloxybutanamide 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-cyclooctyl-2-(3-methoxyphenoxy)butanamide
CID 46769347
(2R)-N-cyclohexyl-2-(4-fluorophenoxy)butanamide
CID 28569448
N-cycloheptyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133264467
(2S)-N-cycloheptyl-2-naphthalen-1-yloxybutanamide
CID 30386318
N-cyclopentyl-2-(3,5-dimethylphenoxy)butanamide
CID 17034466
(2S)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-naphthalen-2-yloxybutanamide
CID 99131335
(2R)-N-cyclohexyl-2-(2-methoxyphenoxy)butanamide
CID 9172985
1-cyclohexyl-3-(2-naphthalen-2-yloxypropanoylamino)urea
CID 4940226
(2S)-N-naphthalen-2-yl-2-naphthalen-2-yloxybutanamide
CID 99942620
(2S)-2-naphthalen-2-yloxy-N-[[(2S)-oxolan-2-yl]methyl]butanamide
CID 93487213
N-cyclohexyl-2-[2-(4-methoxyphenoxy)butanoylamino]benzamide
CID 21368361
(2S)-N-cyclopropyl-2-naphthalen-2-yloxypropanamide
CID 42561249

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclooctyl-2-naphthalen-2-yloxybutanamide?
The IUPAC name of (2S)-N-cyclooctyl-2-naphthalen-2-yloxybutanamide (CID 92673860) is (2S)-N-cyclooctyl-2-naphthalen-2-yloxybutanamide.
What is the SMILES notation for (2S)-N-cyclooctyl-2-naphthalen-2-yloxybutanamide?
The canonical SMILES for (2S)-N-cyclooctyl-2-naphthalen-2-yloxybutanamide is CC[C@H](Oc1ccc2ccccc2c1)C(=O)NC1CCCCCCC1.
What is the InChIKey of (2S)-N-cyclooctyl-2-naphthalen-2-yloxybutanamide?
The InChIKey is ABDZDBRNBPQYLI-NRFANRHFSA-N. The full InChI is InChI=1S/C22H29NO2/c1-2-21(22(24)23-19-12-6-4-3-5-7-13-19)25-20-15-14-17-10-8-9-11-18(17)16-20/h8-11,14-16,19,21H,2-7,12-13H2,1H3,(H,23,24)/t21-/m0/s1.
What are the key properties of (2S)-N-cyclooctyl-2-naphthalen-2-yloxybutanamide?
(2S)-N-cyclooctyl-2-naphthalen-2-yloxybutanamide has a molecular weight of 339.48 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclooctyl-2-naphthalen-2-yloxybutanamide is sourced from PubChem (CID 92673860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).