4-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)butanamide

C20H25NO2 — CID 19173643

IUPAC4-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)butanamide
SMILESCc1cccc(OCCCC(=O)Nc2ccccc2C(C)C)c1
InChIInChI=1S/C20H25NO2/c1-15(2)18-10-4-5-11-19(18)21-20(22)12-7-13-23-17-9-6-8-16(3)14-17/h4-6,8-11,14-15H,7,12-13H2,1-3H3,(H,21,22)
InChIKeyJGSAXDWXZSFQLG-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.92
Rot. Bonds7

About 4-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)butanamide

4-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)butanamide (PubChem CID 19173643) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)butanamide.

Molecular Properties

Compound Name4-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)butanamide
PubChem CID19173643
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name4-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)butanamide
SMILESCc1cccc(OCCCC(=O)Nc2ccccc2C(C)C)c1
InChIInChI=1S/C20H25NO2/c1-15(2)18-10-4-5-11-19(18)21-20(22)12-7-13-23-17-9-6-8-16(3)14-17/h4-6,8-11,14-15H,7,12-13H2,1-3H3,(H,21,22)
InChIKeyJGSAXDWXZSFQLG-UHFFFAOYSA-N
XLogP4.92
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 ≤ 54.92
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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Related Compounds

N-(2-methoxyphenyl)-4-(3-methylphenoxy)butanamide
CID 19173646
4-(3-methylphenoxy)-N-(2-propoxyphenyl)butanamide
CID 112793578
4-(3-methylphenoxy)-N-phenylbutanamide
CID 19173641
4-(2,3-dimethylphenoxy)-N-(2-propan-2-ylphenyl)butanamide
CID 19190902
N-[2-(1-hydroxyethyl)phenyl]-2-(3-methylphenoxy)acetamide
CID 60728516
N-[2-(dimethylsulfamoyl)phenyl]-4-(3-methylphenoxy)butanamide
CID 55983828
(2R)-2-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 841227
N-[2-(bromomethyl)phenyl]-3-(3-methylphenoxy)propanamide
CID 114309727
N-(2-ethoxyphenyl)-3-(3-methylphenoxy)propanamide
CID 2939056
N-(2-fluorophenyl)-3-(3-methylphenoxy)propanamide
CID 9413689
N-[2-[(2S)-butan-2-yl]phenyl]-2-(3-methylphenoxy)acetamide
CID 890267
3-(2,5-dimethylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 26290770

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)butanamide?
The IUPAC name of 4-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)butanamide (CID 19173643) is 4-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)butanamide.
What is the SMILES notation for 4-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)butanamide?
The canonical SMILES for 4-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)butanamide is Cc1cccc(OCCCC(=O)Nc2ccccc2C(C)C)c1.
What is the InChIKey of 4-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)butanamide?
The InChIKey is JGSAXDWXZSFQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-15(2)18-10-4-5-11-19(18)21-20(22)12-7-13-23-17-9-6-8-16(3)14-17/h4-6,8-11,14-15H,7,12-13H2,1-3H3,(H,21,22).
What are the key properties of 4-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)butanamide?
4-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)butanamide has a molecular weight of 311.43 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)butanamide is sourced from PubChem (CID 19173643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).