2-(4-phenylphenoxy)-N-(2,4,6-trimethylphenyl)butanamide

C25H27NO2 — CID 17073316

IUPAC2-(4-phenylphenoxy)-N-(2,4,6-trimethylphenyl)butanamide
SMILESCCC(Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C25H27NO2/c1-5-23(25(27)26-24-18(3)15-17(2)16-19(24)4)28-22-13-11-21(12-14-22)20-9-7-6-8-10-20/h6-16,23H,5H2,1-4H3,(H,26,27)
InChIKeySKHDPQOPDBQGRY-UHFFFAOYSA-N
MW373.50 g/mol
LogP6.07
Rot. Bonds6

About 2-(4-phenylphenoxy)-N-(2,4,6-trimethylphenyl)butanamide

2-(4-phenylphenoxy)-N-(2,4,6-trimethylphenyl)butanamide (PubChem CID 17073316) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-(4-phenylphenoxy)-N-(2,4,6-trimethylphenyl)butanamide.

Molecular Properties

Compound Name2-(4-phenylphenoxy)-N-(2,4,6-trimethylphenyl)butanamide
PubChem CID17073316
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC Name2-(4-phenylphenoxy)-N-(2,4,6-trimethylphenyl)butanamide
SMILESCCC(Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C25H27NO2/c1-5-23(25(27)26-24-18(3)15-17(2)16-19(24)4)28-22-13-11-21(12-14-22)20-9-7-6-8-10-20/h6-16,23H,5H2,1-4H3,(H,26,27)
InChIKeySKHDPQOPDBQGRY-UHFFFAOYSA-N
XLogP6.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylphenoxy)-N-(2,4,6-trimethylphenyl)butanamide
CID 4949931
(2R)-2-naphthalen-2-yloxy-N-(2,4,6-trimethylphenyl)butanamide
CID 28635759
2-(4-ethylphenoxy)-N-(2,4,6-trimethylphenyl)butanamide
CID 132651059
N-[2-methyl-4-[3-methyl-4-[2-(4-phenylphenoxy)butanoylamino]phenyl]phenyl]-2-(4-phenylphenoxy)butanamide
CID 23010621
N-(3-chloro-4-methylphenyl)-2-(4-phenylphenoxy)butanamide
CID 17073364
2-(4-phenylphenoxy)-N-[8-[2-(4-phenylphenoxy)butanoylamino]octyl]butanamide
CID 17233430
(2R)-N-(2,5-dimethylphenyl)-2-phenoxybutanamide
CID 871725
3-methyl-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide
CID 17073449
N-[4-(2-methoxyethoxy)phenyl]-2-(4-phenylphenoxy)butanamide
CID 17073434
2-(4-phenylphenoxy)-N-(3-propoxyphenyl)butanamide
CID 17096805
4-phenyl-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide
CID 17073450
(2R)-N-[4-methyl-2-[[(2R)-2-phenoxybutanoyl]amino]phenyl]-2-phenoxybutanamide
CID 1293024

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenoxy)-N-(2,4,6-trimethylphenyl)butanamide?
The IUPAC name of 2-(4-phenylphenoxy)-N-(2,4,6-trimethylphenyl)butanamide (CID 17073316) is 2-(4-phenylphenoxy)-N-(2,4,6-trimethylphenyl)butanamide.
What is the SMILES notation for 2-(4-phenylphenoxy)-N-(2,4,6-trimethylphenyl)butanamide?
The canonical SMILES for 2-(4-phenylphenoxy)-N-(2,4,6-trimethylphenyl)butanamide is CCC(Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1c(C)cc(C)cc1C.
What is the InChIKey of 2-(4-phenylphenoxy)-N-(2,4,6-trimethylphenyl)butanamide?
The InChIKey is SKHDPQOPDBQGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO2/c1-5-23(25(27)26-24-18(3)15-17(2)16-19(24)4)28-22-13-11-21(12-14-22)20-9-7-6-8-10-20/h6-16,23H,5H2,1-4H3,(H,26,27).
What are the key properties of 2-(4-phenylphenoxy)-N-(2,4,6-trimethylphenyl)butanamide?
2-(4-phenylphenoxy)-N-(2,4,6-trimethylphenyl)butanamide has a molecular weight of 373.50 g/mol, XLogP of 6.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenoxy)-N-(2,4,6-trimethylphenyl)butanamide is sourced from PubChem (CID 17073316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).