(2S)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2,5-dimethylphenoxy)butanamide

C19H27NO2 — CID 99131455

IUPAC(2S)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2,5-dimethylphenoxy)butanamide
SMILESCC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C19H27NO2/c1-4-17(22-18-9-12(2)5-6-13(18)3)19(21)20-16-11-14-7-8-15(16)10-14/h5-6,9,14-17H,4,7-8,10-11H2,1-3H3,(H,20,21)/t14-,15-,16+,17+/m1/s1
InChIKeySLWXHCPVXFBNLL-NCOADZHNSA-N
MW301.43 g/mol
LogP3.77
Rot. Bonds5

About (2S)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2,5-dimethylphenoxy)butanamide

(2S)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2,5-dimethylphenoxy)butanamide (PubChem CID 99131455) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is (2S)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2,5-dimethylphenoxy)butanamide.

Molecular Properties

Compound Name(2S)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2,5-dimethylphenoxy)butanamide
PubChem CID99131455
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Name(2S)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2,5-dimethylphenoxy)butanamide
SMILESCC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C19H27NO2/c1-4-17(22-18-9-12(2)5-6-13(18)3)19(21)20-16-11-14-7-8-15(16)10-14/h5-6,9,14-17H,4,7-8,10-11H2,1-3H3,(H,20,21)/t14-,15-,16+,17+/m1/s1
InChIKeySLWXHCPVXFBNLL-NCOADZHNSA-N
XLogP3.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2,5-dimethylphenoxy)butanamide 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-(2-bicyclo[2.2.1]heptanyl)-2-(2,4-dimethylphenoxy)butanamide
CID 53289081
N-(2-bicyclo[2.2.1]heptanyl)-2-(2-methylphenoxy)butanamide
CID 43916086
(2S)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(4-methylphenoxy)butanamide
CID 124834235
(2S)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-naphthalen-2-yloxybutanamide
CID 99131335
(2R)-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-fluorophenoxy)butanamide
CID 99131296
2-(2,5-dimethylphenoxy)butanehydrazide
CID 54792983
N-(cyclohexylmethyl)-2-(2,5-dimethylphenoxy)butanamide
CID 133240165
(2S)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2-methylphenoxy)propanamide
CID 100581699
(2R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(3,4-dimethylphenoxy)propanamide
CID 124834114
2-(2,5-dimethylphenoxy)-N-(2-methylpropyl)butanamide
CID 53284304
(2R)-2-(2,5-dimethylphenoxy)-N-(3,5-dimethylphenyl)butanamide
CID 92646353
(2R)-2-(2,5-dimethylphenoxy)-N-(3-methylphenyl)butanamide
CID 93488050

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2,5-dimethylphenoxy)butanamide?
The IUPAC name of (2S)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2,5-dimethylphenoxy)butanamide (CID 99131455) is (2S)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2,5-dimethylphenoxy)butanamide.
What is the SMILES notation for (2S)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2,5-dimethylphenoxy)butanamide?
The canonical SMILES for (2S)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2,5-dimethylphenoxy)butanamide is CC[C@H](Oc1cc(C)ccc1C)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-(2,5-dimethylphenoxy)butanamide?
The InChIKey is SLWXHCPVXFBNLL-NCOADZHNSA-N. The full InChI is InChI=1S/C19H27NO2/c1-4-17(22-18-9-12(2)5-6-13(18)3)19(21)20-16-11-14-7-8-15(16)10-14/h5-6,9,14-17H,4,7-8,10-11H2,1-3H3,(H,20,21)/t14-,15-,16+,17+/m1/s1.
What are the key properties of (2S)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2,5-dimethylphenoxy)butanamide?
(2S)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2,5-dimethylphenoxy)butanamide has a molecular weight of 301.43 g/mol, XLogP of 3.77, 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-(2,5-dimethylphenoxy)butanamide is sourced from PubChem (CID 99131455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).