(2S)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-naphthalen-2-yloxybutanamide

C21H25NO2 — CID 99131335

IUPAC(2S)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-naphthalen-2-yloxybutanamide
SMILESCC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C21H25NO2/c1-2-20(21(23)22-19-12-14-7-8-17(19)11-14)24-18-10-9-15-5-3-4-6-16(15)13-18/h3-6,9-10,13-14,17,19-20H,2,7-8,11-12H2,1H3,(H,22,23)/t14-,17-,19+,20+/m1/s1
InChIKeyCTZNUJIBAUPQPV-JBCDFXQESA-N
MW323.44 g/mol
LogP4.30
Rot. Bonds5

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

(2S)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-naphthalen-2-yloxybutanamide (PubChem CID 99131335) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is (2S)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-naphthalen-2-yloxybutanamide.

Molecular Properties

Compound Name(2S)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-naphthalen-2-yloxybutanamide
PubChem CID99131335
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name(2S)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-naphthalen-2-yloxybutanamide
SMILESCC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C21H25NO2/c1-2-20(21(23)22-19-12-14-7-8-17(19)11-14)24-18-10-9-15-5-3-4-6-16(15)13-18/h3-6,9-10,13-14,17,19-20H,2,7-8,11-12H2,1H3,(H,22,23)/t14-,17-,19+,20+/m1/s1
InChIKeyCTZNUJIBAUPQPV-JBCDFXQESA-N
XLogP4.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-naphthalen-2-yloxybutanamide with MolForge

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Related Compounds

(2S)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(4-methylphenoxy)butanamide
CID 124834235
(2R)-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-fluorophenoxy)butanamide
CID 99131296
N-(2-bicyclo[2.2.1]heptanyl)-2-(2-methylphenoxy)butanamide
CID 43916086
(2S)-N-cyclooctyl-2-naphthalen-2-yloxybutanamide
CID 92673860
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
N-[(2S)-1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]naphthalene-2-carboxamide
CID 6667462
(2S)-N-naphthalen-2-yl-2-naphthalen-2-yloxybutanamide
CID 99942620
(2R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(3,4-dimethylphenoxy)propanamide
CID 124834114
(2S)-N-[4-(1-adamantyl)phenyl]-2-naphthalen-2-yloxybutanamide
CID 28580164
(2S)-2-naphthalen-2-yloxy-N-pentylbutanamide
CID 92647112
(2S)-N-(3-ethoxypropyl)-2-naphthalen-2-yloxybutanamide
CID 92686159

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-naphthalen-2-yloxybutanamide?
The IUPAC name of (2S)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-naphthalen-2-yloxybutanamide (CID 99131335) is (2S)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-naphthalen-2-yloxybutanamide.
What is the SMILES notation for (2S)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-naphthalen-2-yloxybutanamide?
The canonical SMILES for (2S)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-naphthalen-2-yloxybutanamide is CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2.
What is the InChIKey of (2S)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-naphthalen-2-yloxybutanamide?
The InChIKey is CTZNUJIBAUPQPV-JBCDFXQESA-N. The full InChI is InChI=1S/C21H25NO2/c1-2-20(21(23)22-19-12-14-7-8-17(19)11-14)24-18-10-9-15-5-3-4-6-16(15)13-18/h3-6,9-10,13-14,17,19-20H,2,7-8,11-12H2,1H3,(H,22,23)/t14-,17-,19+,20+/m1/s1.
What are the key properties of (2S)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-naphthalen-2-yloxybutanamide?
(2S)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-naphthalen-2-yloxybutanamide has a molecular weight of 323.44 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-naphthalen-2-yloxybutanamide is sourced from PubChem (CID 99131335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).