5-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)-2,2-dimethylpentanamide

C20H27NO3 — CID 54783499

IUPAC5-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)-2,2-dimethylpentanamide
SMILESCc1ccc(C)c(OCCCC(C)(C)C(=O)NCc2ccco2)c1
InChIInChI=1S/C20H27NO3/c1-15-8-9-16(2)18(13-15)24-12-6-10-20(3,4)19(22)21-14-17-7-5-11-23-17/h5,7-9,11,13H,6,10,12,14H2,1-4H3,(H,21,22)
InChIKeyZDRGTORINCCMNR-UHFFFAOYSA-N
MW329.44 g/mol
LogP4.40
Rot. Bonds8

About 5-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)-2,2-dimethylpentanamide

5-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)-2,2-dimethylpentanamide (PubChem CID 54783499) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 5-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)-2,2-dimethylpentanamide.

Molecular Properties

Compound Name5-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)-2,2-dimethylpentanamide
PubChem CID54783499
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name5-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)-2,2-dimethylpentanamide
SMILESCc1ccc(C)c(OCCCC(C)(C)C(=O)NCc2ccco2)c1
InChIInChI=1S/C20H27NO3/c1-15-8-9-16(2)18(13-15)24-12-6-10-20(3,4)19(22)21-14-17-7-5-11-23-17/h5,7-9,11,13H,6,10,12,14H2,1-4H3,(H,21,22)
InChIKeyZDRGTORINCCMNR-UHFFFAOYSA-N
XLogP4.40
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.40
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)-N-ethyl-2,2-dimethylpentanamide
CID 54783886
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-propylpentanamide
CID 54783506
5-(2,5-dimethylphenoxy)-N-(2-methoxyethyl)-2,2-dimethylpentanamide
CID 54783531
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-(4-methylphenyl)pentanamide
CID 54783593
N-[2-(diethylamino)ethyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
CID 54783817
4-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)butan-1-amine
CID 16614016
N'-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]-4-methylbenzohydrazide
CID 54784126
N-(3-chlorophenyl)-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
CID 54783647
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-(furan-2-ylmethyl)-2,2-dimethylpentanamide?
The IUPAC name of 5-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)-2,2-dimethylpentanamide (CID 54783499) is 5-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)-2,2-dimethylpentanamide.
What is the SMILES notation for 5-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)-2,2-dimethylpentanamide?
The canonical SMILES for 5-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)-2,2-dimethylpentanamide is Cc1ccc(C)c(OCCCC(C)(C)C(=O)NCc2ccco2)c1.
What is the InChIKey of 5-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)-2,2-dimethylpentanamide?
The InChIKey is ZDRGTORINCCMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-15-8-9-16(2)18(13-15)24-12-6-10-20(3,4)19(22)21-14-17-7-5-11-23-17/h5,7-9,11,13H,6,10,12,14H2,1-4H3,(H,21,22).
What are the key properties of 5-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)-2,2-dimethylpentanamide?
5-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)-2,2-dimethylpentanamide has a molecular weight of 329.44 g/mol, XLogP of 4.40, 8 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-(furan-2-ylmethyl)-2,2-dimethylpentanamide is sourced from PubChem (CID 54783499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).