5-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylpentanamide

C17H27NO2 — CID 54783886

IUPAC5-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylpentanamide
SMILESCCNC(=O)C(C)(C)CCCOc1cc(C)ccc1C
InChIInChI=1S/C17H27NO2/c1-6-18-16(19)17(4,5)10-7-11-20-15-12-13(2)8-9-14(15)3/h8-9,12H,6-7,10-11H2,1-5H3,(H,18,19)
InChIKeySVFNVSVIJLGZFZ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.62
Rot. Bonds7

About 5-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylpentanamide

5-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylpentanamide (PubChem CID 54783886) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 5-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylpentanamide.

Molecular Properties

Compound Name5-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylpentanamide
PubChem CID54783886
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name5-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylpentanamide
SMILESCCNC(=O)C(C)(C)CCCOc1cc(C)ccc1C
InChIInChI=1S/C17H27NO2/c1-6-18-16(19)17(4,5)10-7-11-20-15-12-13(2)8-9-14(15)3/h8-9,12H,6-7,10-11H2,1-5H3,(H,18,19)
InChIKeySVFNVSVIJLGZFZ-UHFFFAOYSA-N
XLogP3.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-propylpentanamide
CID 54783506
5-(2,5-dimethylphenoxy)-N-(2-methoxyethyl)-2,2-dimethylpentanamide
CID 54783531
N-[2-(diethylamino)ethyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
CID 54783817
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-(4-methylphenyl)pentanamide
CID 54783593
5-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)-2,2-dimethylpentanamide
CID 54783499
N'-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]-4-methylbenzohydrazide
CID 54784126
5-(2,5-dimethylphenoxy)-N'-hexanoyl-2,2-dimethylpentanehydrazide
CID 54784103
sodium;5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid;hydride
CID 173009199
5-(2,5-dimethylphenoxy)-N-[2-(4-hydroxy-3-methylphenyl)-2-oxoethyl]-2,2-dimethylpentanamide
CID 158479808
N-(dimethylcarbamothioyl)-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
CID 54784218
N-(4-bromophenyl)-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
CID 54783495
N-(5-amino-2-methylphenyl)-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
CID 54855799

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylpentanamide?
The IUPAC name of 5-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylpentanamide (CID 54783886) is 5-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylpentanamide.
What is the SMILES notation for 5-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylpentanamide?
The canonical SMILES for 5-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylpentanamide is CCNC(=O)C(C)(C)CCCOc1cc(C)ccc1C.
What is the InChIKey of 5-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylpentanamide?
The InChIKey is SVFNVSVIJLGZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-6-18-16(19)17(4,5)10-7-11-20-15-12-13(2)8-9-14(15)3/h8-9,12H,6-7,10-11H2,1-5H3,(H,18,19).
What are the key properties of 5-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylpentanamide?
5-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylpentanamide has a molecular weight of 277.41 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylpentanamide is sourced from PubChem (CID 54783886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).