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

C18H29NO3 — CID 54783531

IUPAC5-(2,5-dimethylphenoxy)-N-(2-methoxyethyl)-2,2-dimethylpentanamide
SMILESCOCCNC(=O)C(C)(C)CCCOc1cc(C)ccc1C
InChIInChI=1S/C18H29NO3/c1-14-7-8-15(2)16(13-14)22-11-6-9-18(3,4)17(20)19-10-12-21-5/h7-8,13H,6,9-12H2,1-5H3,(H,19,20)
InChIKeyWYPCSUJLFPOUPD-UHFFFAOYSA-N
MW307.43 g/mol
LogP3.25
Rot. Bonds9

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

5-(2,5-dimethylphenoxy)-N-(2-methoxyethyl)-2,2-dimethylpentanamide (PubChem CID 54783531) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is 5-(2,5-dimethylphenoxy)-N-(2-methoxyethyl)-2,2-dimethylpentanamide.

Molecular Properties

Compound Name5-(2,5-dimethylphenoxy)-N-(2-methoxyethyl)-2,2-dimethylpentanamide
PubChem CID54783531
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name5-(2,5-dimethylphenoxy)-N-(2-methoxyethyl)-2,2-dimethylpentanamide
SMILESCOCCNC(=O)C(C)(C)CCCOc1cc(C)ccc1C
InChIInChI=1S/C18H29NO3/c1-14-7-8-15(2)16(13-14)22-11-6-9-18(3,4)17(20)19-10-12-21-5/h7-8,13H,6,9-12H2,1-5H3,(H,19,20)
InChIKeyWYPCSUJLFPOUPD-UHFFFAOYSA-N
XLogP3.25
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-ethyl-2,2-dimethylpentanamide
CID 54783886
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
N'-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]-4-methylbenzohydrazide
CID 54784126
2-[[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]carbamothioylamino]-N-(2-methoxyethyl)benzamide
CID 54784285
5-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)-2,2-dimethylpentanamide
CID 54783499
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[(4-methylphenyl)carbamothioyl]pentanamide
CID 54783990
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

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylphenoxy)-N-(2-methoxyethyl)-2,2-dimethylpentanamide?
The IUPAC name of 5-(2,5-dimethylphenoxy)-N-(2-methoxyethyl)-2,2-dimethylpentanamide (CID 54783531) is 5-(2,5-dimethylphenoxy)-N-(2-methoxyethyl)-2,2-dimethylpentanamide.
What is the SMILES notation for 5-(2,5-dimethylphenoxy)-N-(2-methoxyethyl)-2,2-dimethylpentanamide?
The canonical SMILES for 5-(2,5-dimethylphenoxy)-N-(2-methoxyethyl)-2,2-dimethylpentanamide is COCCNC(=O)C(C)(C)CCCOc1cc(C)ccc1C.
What is the InChIKey of 5-(2,5-dimethylphenoxy)-N-(2-methoxyethyl)-2,2-dimethylpentanamide?
The InChIKey is WYPCSUJLFPOUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3/c1-14-7-8-15(2)16(13-14)22-11-6-9-18(3,4)17(20)19-10-12-21-5/h7-8,13H,6,9-12H2,1-5H3,(H,19,20).
What are the key properties of 5-(2,5-dimethylphenoxy)-N-(2-methoxyethyl)-2,2-dimethylpentanamide?
5-(2,5-dimethylphenoxy)-N-(2-methoxyethyl)-2,2-dimethylpentanamide has a molecular weight of 307.43 g/mol, XLogP of 3.25, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylphenoxy)-N-(2-methoxyethyl)-2,2-dimethylpentanamide is sourced from PubChem (CID 54783531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).