N-(2-bicyclo[2.2.1]heptanyl)-2-(2-methylphenoxy)butanamide

C18H25NO2 — CID 43916086

IUPACN-(2-bicyclo[2.2.1]heptanyl)-2-(2-methylphenoxy)butanamide
SMILESCCC(Oc1ccccc1C)C(=O)NC1CC2CCC1C2
InChIInChI=1S/C18H25NO2/c1-3-16(21-17-7-5-4-6-12(17)2)18(20)19-15-11-13-8-9-14(15)10-13/h4-7,13-16H,3,8-11H2,1-2H3,(H,19,20)
InChIKeyIQWJDBUXGVPFNX-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.46
Rot. Bonds5

About N-(2-bicyclo[2.2.1]heptanyl)-2-(2-methylphenoxy)butanamide

N-(2-bicyclo[2.2.1]heptanyl)-2-(2-methylphenoxy)butanamide (PubChem CID 43916086) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-2-(2-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-2-(2-methylphenoxy)butanamide
PubChem CID43916086
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-2-(2-methylphenoxy)butanamide
SMILESCCC(Oc1ccccc1C)C(=O)NC1CC2CCC1C2
InChIInChI=1S/C18H25NO2/c1-3-16(21-17-7-5-4-6-12(17)2)18(20)19-15-11-13-8-9-14(15)10-13/h4-7,13-16H,3,8-11H2,1-2H3,(H,19,20)
InChIKeyIQWJDBUXGVPFNX-UHFFFAOYSA-N
XLogP3.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-bicyclo[2.2.1]heptanyl)-2-(2-methylphenoxy)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
(2S)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2,5-dimethylphenoxy)butanamide
CID 99131455
(2S)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2-methylphenoxy)propanamide
CID 100581699
(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
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-methylphenoxy)acetamide
CID 880138
(2S)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-naphthalen-1-yloxypropanamide
CID 98055966
2-(2-methylphenoxy)-N-[2-[2-(2-methylphenoxy)butanoylamino]phenyl]butanamide
CID 4932214
2-(2-methylphenoxy)-N-propylbutanamide
CID 43909851
(2R)-2-(2-methylphenoxy)butanoyl chloride
CID 51980370
(2R)-N-cyclopentyl-2-(2,3-dimethylphenoxy)butanamide
CID 92677449

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-(2-methylphenoxy)butanamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-(2-methylphenoxy)butanamide (CID 43916086) is N-(2-bicyclo[2.2.1]heptanyl)-2-(2-methylphenoxy)butanamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-2-(2-methylphenoxy)butanamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-2-(2-methylphenoxy)butanamide is CCC(Oc1ccccc1C)C(=O)NC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-2-(2-methylphenoxy)butanamide?
The InChIKey is IQWJDBUXGVPFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-3-16(21-17-7-5-4-6-12(17)2)18(20)19-15-11-13-8-9-14(15)10-13/h4-7,13-16H,3,8-11H2,1-2H3,(H,19,20).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-2-(2-methylphenoxy)butanamide?
N-(2-bicyclo[2.2.1]heptanyl)-2-(2-methylphenoxy)butanamide has a molecular weight of 287.40 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-2-(2-methylphenoxy)butanamide is sourced from PubChem (CID 43916086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).