N-(2-bicyclo[2.2.1]heptanyl)-2-(2,4-dimethylphenoxy)butanamide

C19H27NO2 — CID 53289081

IUPACN-(2-bicyclo[2.2.1]heptanyl)-2-(2,4-dimethylphenoxy)butanamide
SMILESCCC(Oc1ccc(C)cc1C)C(=O)NC1CC2CCC1C2
InChIInChI=1S/C19H27NO2/c1-4-17(22-18-8-5-12(2)9-13(18)3)19(21)20-16-11-14-6-7-15(16)10-14/h5,8-9,14-17H,4,6-7,10-11H2,1-3H3,(H,20,21)
InChIKeyDMUMLMBZZUATRF-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.77
Rot. Bonds5

About N-(2-bicyclo[2.2.1]heptanyl)-2-(2,4-dimethylphenoxy)butanamide

N-(2-bicyclo[2.2.1]heptanyl)-2-(2,4-dimethylphenoxy)butanamide (PubChem CID 53289081) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-2-(2,4-dimethylphenoxy)butanamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-2-(2,4-dimethylphenoxy)butanamide
PubChem CID53289081
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-2-(2,4-dimethylphenoxy)butanamide
SMILESCCC(Oc1ccc(C)cc1C)C(=O)NC1CC2CCC1C2
InChIInChI=1S/C19H27NO2/c1-4-17(22-18-8-5-12(2)9-13(18)3)19(21)20-16-11-14-6-7-15(16)10-14/h5,8-9,14-17H,4,6-7,10-11H2,1-3H3,(H,20,21)
InChIKeyDMUMLMBZZUATRF-UHFFFAOYSA-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

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Related Compounds

(2S)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2,5-dimethylphenoxy)butanamide
CID 99131455
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-(2,4-dimethylphenoxy)-N-ethylbutanamide
CID 53289122
2-(2,4-dimethylphenoxy)-N-propylbutanamide
CID 20682013
2-(2,4-dimethylphenoxy)-N-propan-2-ylbutanamide
CID 53289143
(2S)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2-methylphenoxy)propanamide
CID 100581699
2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)butanamide
CID 53288910
(2R)-2-(2,4-dimethylphenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 99133066
N-tert-butyl-2-(2,4-dimethylphenoxy)butanamide
CID 53289145

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-(2,4-dimethylphenoxy)butanamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-(2,4-dimethylphenoxy)butanamide (CID 53289081) is N-(2-bicyclo[2.2.1]heptanyl)-2-(2,4-dimethylphenoxy)butanamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-2-(2,4-dimethylphenoxy)butanamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-2-(2,4-dimethylphenoxy)butanamide is CCC(Oc1ccc(C)cc1C)C(=O)NC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-2-(2,4-dimethylphenoxy)butanamide?
The InChIKey is DMUMLMBZZUATRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2/c1-4-17(22-18-8-5-12(2)9-13(18)3)19(21)20-16-11-14-6-7-15(16)10-14/h5,8-9,14-17H,4,6-7,10-11H2,1-3H3,(H,20,21).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-2-(2,4-dimethylphenoxy)butanamide?
N-(2-bicyclo[2.2.1]heptanyl)-2-(2,4-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 N-(2-bicyclo[2.2.1]heptanyl)-2-(2,4-dimethylphenoxy)butanamide is sourced from PubChem (CID 53289081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).