4-(2,4-dimethylphenoxy)-N-(1-phenylethyl)butanamide

C20H25NO2 — CID 2792818

IUPAC4-(2,4-dimethylphenoxy)-N-(1-phenylethyl)butanamide
SMILESCc1ccc(OCCCC(=O)NC(C)c2ccccc2)c(C)c1
InChIInChI=1S/C20H25NO2/c1-15-11-12-19(16(2)14-15)23-13-7-10-20(22)21-17(3)18-8-5-4-6-9-18/h4-6,8-9,11-12,14,17H,7,10,13H2,1-3H3,(H,21,22)
InChIKeyZXGUCEIYOHPCLG-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.34
Rot. Bonds7

About 4-(2,4-dimethylphenoxy)-N-(1-phenylethyl)butanamide

4-(2,4-dimethylphenoxy)-N-(1-phenylethyl)butanamide (PubChem CID 2792818) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-(2,4-dimethylphenoxy)-N-(1-phenylethyl)butanamide.

Molecular Properties

Compound Name4-(2,4-dimethylphenoxy)-N-(1-phenylethyl)butanamide
PubChem CID2792818
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name4-(2,4-dimethylphenoxy)-N-(1-phenylethyl)butanamide
SMILESCc1ccc(OCCCC(=O)NC(C)c2ccccc2)c(C)c1
InChIInChI=1S/C20H25NO2/c1-15-11-12-19(16(2)14-15)23-13-7-10-20(22)21-17(3)18-8-5-4-6-9-18/h4-6,8-9,11-12,14,17H,7,10,13H2,1-3H3,(H,21,22)
InChIKeyZXGUCEIYOHPCLG-UHFFFAOYSA-N
XLogP4.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.34
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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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenoxy)-N-(1-phenylethyl)butanamide?
The IUPAC name of 4-(2,4-dimethylphenoxy)-N-(1-phenylethyl)butanamide (CID 2792818) is 4-(2,4-dimethylphenoxy)-N-(1-phenylethyl)butanamide.
What is the SMILES notation for 4-(2,4-dimethylphenoxy)-N-(1-phenylethyl)butanamide?
The canonical SMILES for 4-(2,4-dimethylphenoxy)-N-(1-phenylethyl)butanamide is Cc1ccc(OCCCC(=O)NC(C)c2ccccc2)c(C)c1.
What is the InChIKey of 4-(2,4-dimethylphenoxy)-N-(1-phenylethyl)butanamide?
The InChIKey is ZXGUCEIYOHPCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-15-11-12-19(16(2)14-15)23-13-7-10-20(22)21-17(3)18-8-5-4-6-9-18/h4-6,8-9,11-12,14,17H,7,10,13H2,1-3H3,(H,21,22).
What are the key properties of 4-(2,4-dimethylphenoxy)-N-(1-phenylethyl)butanamide?
4-(2,4-dimethylphenoxy)-N-(1-phenylethyl)butanamide has a molecular weight of 311.43 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenoxy)-N-(1-phenylethyl)butanamide is sourced from PubChem (CID 2792818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).