N-(3,5-dimethylphenyl)-4-(4-propan-2-ylphenoxy)butanamide

C21H27NO2 — CID 19207272

IUPACN-(3,5-dimethylphenyl)-4-(4-propan-2-ylphenoxy)butanamide
SMILESCc1cc(C)cc(NC(=O)CCCOc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C21H27NO2/c1-15(2)18-7-9-20(10-8-18)24-11-5-6-21(23)22-19-13-16(3)12-17(4)14-19/h7-10,12-15H,5-6,11H2,1-4H3,(H,22,23)
InChIKeyANXCXSZSCYVTKP-UHFFFAOYSA-N
MW325.45 g/mol
LogP5.22
Rot. Bonds7

About N-(3,5-dimethylphenyl)-4-(4-propan-2-ylphenoxy)butanamide

N-(3,5-dimethylphenyl)-4-(4-propan-2-ylphenoxy)butanamide (PubChem CID 19207272) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-(4-propan-2-ylphenoxy)butanamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-(4-propan-2-ylphenoxy)butanamide
PubChem CID19207272
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC NameN-(3,5-dimethylphenyl)-4-(4-propan-2-ylphenoxy)butanamide
SMILESCc1cc(C)cc(NC(=O)CCCOc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C21H27NO2/c1-15(2)18-7-9-20(10-8-18)24-11-5-6-21(23)22-19-13-16(3)12-17(4)14-19/h7-10,12-15H,5-6,11H2,1-4H3,(H,22,23)
InChIKeyANXCXSZSCYVTKP-UHFFFAOYSA-N
XLogP5.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.45
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3,5-dimethylphenyl)-4-(4-propan-2-ylphenoxy)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-phenoxy-N-(4-propan-2-ylphenyl)butanamide
CID 21367289
N-(3-chlorophenyl)-4-(4-propan-2-ylphenoxy)butanamide
CID 19207322
4-(2-bromo-4-propan-2-ylphenoxy)-N-(4-pentoxyphenyl)butanamide
CID 19206216
3-(3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 109035687
4-(4-methoxyphenoxy)-N-(3-methylphenyl)butanamide
CID 7732946
4-(2-bromo-4-propan-2-ylphenoxy)-N-(3,5-dichlorophenyl)butanamide
CID 19206246
4-(4-propan-2-ylphenoxy)-N-prop-2-enylbutanamide
CID 19207254
N-(3-hydroxypropyl)-4-(4-propan-2-ylphenoxy)butanamide
CID 110487301
N-(3-chlorophenyl)-4-(4-methylphenoxy)butanamide
CID 2709974
N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]-4-propan-2-ylbenzamide
CID 108572898
4-(2-bromo-4-propan-2-ylphenoxy)-N-(4-methoxyphenyl)butanamide
CID 19206206
N-(4-iodo-3,5-dimethylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 17336026

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-(4-propan-2-ylphenoxy)butanamide?
The IUPAC name of N-(3,5-dimethylphenyl)-4-(4-propan-2-ylphenoxy)butanamide (CID 19207272) is N-(3,5-dimethylphenyl)-4-(4-propan-2-ylphenoxy)butanamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-(4-propan-2-ylphenoxy)butanamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-(4-propan-2-ylphenoxy)butanamide is Cc1cc(C)cc(NC(=O)CCCOc2ccc(C(C)C)cc2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-(4-propan-2-ylphenoxy)butanamide?
The InChIKey is ANXCXSZSCYVTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-15(2)18-7-9-20(10-8-18)24-11-5-6-21(23)22-19-13-16(3)12-17(4)14-19/h7-10,12-15H,5-6,11H2,1-4H3,(H,22,23).
What are the key properties of N-(3,5-dimethylphenyl)-4-(4-propan-2-ylphenoxy)butanamide?
N-(3,5-dimethylphenyl)-4-(4-propan-2-ylphenoxy)butanamide has a molecular weight of 325.45 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-(4-propan-2-ylphenoxy)butanamide is sourced from PubChem (CID 19207272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).