5-(2,5-dimethylphenoxy)-N-[2-(4-hydroxy-3-methylphenyl)-2-oxoethyl]-2,2-dimethylpentanamide

C24H31NO4 — CID 158479808

IUPAC5-(2,5-dimethylphenoxy)-N-[2-(4-hydroxy-3-methylphenyl)-2-oxoethyl]-2,2-dimethylpentanamide
SMILESCc1ccc(C)c(OCCCC(C)(C)C(=O)NCC(=O)c2ccc(O)c(C)c2)c1
InChIInChI=1S/C24H31NO4/c1-16-7-8-17(2)22(13-16)29-12-6-11-24(4,5)23(28)25-15-21(27)19-9-10-20(26)18(3)14-19/h7-10,13-14,26H,6,11-12,15H2,1-5H3,(H,25,28)
InChIKeyZYCFGKIEBRHFJI-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.50
Rot. Bonds9

About 5-(2,5-dimethylphenoxy)-N-[2-(4-hydroxy-3-methylphenyl)-2-oxoethyl]-2,2-dimethylpentanamide

5-(2,5-dimethylphenoxy)-N-[2-(4-hydroxy-3-methylphenyl)-2-oxoethyl]-2,2-dimethylpentanamide (PubChem CID 158479808) has the molecular formula C24H31NO4 and a molecular weight of 397.52 g/mol. Its IUPAC name is 5-(2,5-dimethylphenoxy)-N-[2-(4-hydroxy-3-methylphenyl)-2-oxoethyl]-2,2-dimethylpentanamide.

Molecular Properties

Compound Name5-(2,5-dimethylphenoxy)-N-[2-(4-hydroxy-3-methylphenyl)-2-oxoethyl]-2,2-dimethylpentanamide
PubChem CID158479808
Molecular FormulaC24H31NO4
Molecular Weight397.52 g/mol
Exact Mass397.23
IUPAC Name5-(2,5-dimethylphenoxy)-N-[2-(4-hydroxy-3-methylphenyl)-2-oxoethyl]-2,2-dimethylpentanamide
SMILESCc1ccc(C)c(OCCCC(C)(C)C(=O)NCC(=O)c2ccc(O)c(C)c2)c1
InChIInChI=1S/C24H31NO4/c1-16-7-8-17(2)22(13-16)29-12-6-11-24(4,5)23(28)25-15-21(27)19-9-10-20(26)18(3)14-19/h7-10,13-14,26H,6,11-12,15H2,1-5H3,(H,25,28)
InChIKeyZYCFGKIEBRHFJI-UHFFFAOYSA-N
XLogP4.50
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[2-[[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]amino]acetyl]-2-hydroxyphenyl] pyridine-3-carboxylate
CID 139518679
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
N'-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]-4-methylbenzohydrazide
CID 54784126
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
5-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)-2,2-dimethylpentanamide
CID 54783499
N-[4-[[[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]amino]carbamoyl]phenyl]acetamide
CID 54784135
sodium;5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid;hydride
CID 173009199
N-(4-bromophenyl)-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
CID 54783495
N-(dimethylcarbamothioyl)-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
CID 54784218

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylphenoxy)-N-[2-(4-hydroxy-3-methylphenyl)-2-oxoethyl]-2,2-dimethylpentanamide?
The IUPAC name of 5-(2,5-dimethylphenoxy)-N-[2-(4-hydroxy-3-methylphenyl)-2-oxoethyl]-2,2-dimethylpentanamide (CID 158479808) is 5-(2,5-dimethylphenoxy)-N-[2-(4-hydroxy-3-methylphenyl)-2-oxoethyl]-2,2-dimethylpentanamide.
What is the SMILES notation for 5-(2,5-dimethylphenoxy)-N-[2-(4-hydroxy-3-methylphenyl)-2-oxoethyl]-2,2-dimethylpentanamide?
The canonical SMILES for 5-(2,5-dimethylphenoxy)-N-[2-(4-hydroxy-3-methylphenyl)-2-oxoethyl]-2,2-dimethylpentanamide is Cc1ccc(C)c(OCCCC(C)(C)C(=O)NCC(=O)c2ccc(O)c(C)c2)c1.
What is the InChIKey of 5-(2,5-dimethylphenoxy)-N-[2-(4-hydroxy-3-methylphenyl)-2-oxoethyl]-2,2-dimethylpentanamide?
The InChIKey is ZYCFGKIEBRHFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO4/c1-16-7-8-17(2)22(13-16)29-12-6-11-24(4,5)23(28)25-15-21(27)19-9-10-20(26)18(3)14-19/h7-10,13-14,26H,6,11-12,15H2,1-5H3,(H,25,28).
What are the key properties of 5-(2,5-dimethylphenoxy)-N-[2-(4-hydroxy-3-methylphenyl)-2-oxoethyl]-2,2-dimethylpentanamide?
5-(2,5-dimethylphenoxy)-N-[2-(4-hydroxy-3-methylphenyl)-2-oxoethyl]-2,2-dimethylpentanamide has a molecular weight of 397.52 g/mol, XLogP of 4.50, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylphenoxy)-N-[2-(4-hydroxy-3-methylphenyl)-2-oxoethyl]-2,2-dimethylpentanamide is sourced from PubChem (CID 158479808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).