4-(4-chloro-3-ethylphenoxy)-N-(2,4-dimethylphenyl)butanamide

C20H24ClNO2 — CID 20580448

IUPAC4-(4-chloro-3-ethylphenoxy)-N-(2,4-dimethylphenyl)butanamide
SMILESCCc1cc(OCCCC(=O)Nc2ccc(C)cc2C)ccc1Cl
InChIInChI=1S/C20H24ClNO2/c1-4-16-13-17(8-9-18(16)21)24-11-5-6-20(23)22-19-10-7-14(2)12-15(19)3/h7-10,12-13H,4-6,11H2,1-3H3,(H,22,23)
InChIKeyUDIQLVDBCMYXLR-UHFFFAOYSA-N
MW345.87 g/mol
LogP5.32
Rot. Bonds7

About 4-(4-chloro-3-ethylphenoxy)-N-(2,4-dimethylphenyl)butanamide

4-(4-chloro-3-ethylphenoxy)-N-(2,4-dimethylphenyl)butanamide (PubChem CID 20580448) has the molecular formula C20H24ClNO2 and a molecular weight of 345.87 g/mol. Its IUPAC name is 4-(4-chloro-3-ethylphenoxy)-N-(2,4-dimethylphenyl)butanamide.

Molecular Properties

Compound Name4-(4-chloro-3-ethylphenoxy)-N-(2,4-dimethylphenyl)butanamide
PubChem CID20580448
Molecular FormulaC20H24ClNO2
Molecular Weight345.87 g/mol
Exact Mass345.15
IUPAC Name4-(4-chloro-3-ethylphenoxy)-N-(2,4-dimethylphenyl)butanamide
SMILESCCc1cc(OCCCC(=O)Nc2ccc(C)cc2C)ccc1Cl
InChIInChI=1S/C20H24ClNO2/c1-4-16-13-17(8-9-18(16)21)24-11-5-6-20(23)22-19-10-7-14(2)12-15(19)3/h7-10,12-13H,4-6,11H2,1-3H3,(H,22,23)
InChIKeyUDIQLVDBCMYXLR-UHFFFAOYSA-N
XLogP5.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.87
LogP ≤ 55.32
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

4-(4-chloro-3-methylphenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 19191212
4-(4-chloro-3-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)butanamide
CID 51552249
4-(4-chloro-3-methylphenoxy)-N-(2-ethylphenyl)butanamide
CID 4797069
N-(2,4-dimethylphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide
CID 2072237
2-(4-chloro-3-ethylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 7642630
2-(4-chloro-3-ethylphenoxy)-N-(2-methylphenyl)acetamide
CID 18074792
N-(2,5-dimethylphenyl)-4-(4-ethoxyphenoxy)butanamide
CID 7991934
N-(4-chloro-2-methylphenyl)-3-(4-methylphenoxy)propanamide
CID 7914785
4-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide
CID 19191267
2-(3,4-dichlorophenyl)-N-(2-methyl-4-propoxyphenyl)acetamide
CID 60540563
3-amino-N-(4-butoxy-2-methylphenyl)propanamide
CID 39353448
N-(2-bromo-4-methylphenyl)-4-(4-methylphenoxy)butanamide
CID 7695554

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-ethylphenoxy)-N-(2,4-dimethylphenyl)butanamide?
The IUPAC name of 4-(4-chloro-3-ethylphenoxy)-N-(2,4-dimethylphenyl)butanamide (CID 20580448) is 4-(4-chloro-3-ethylphenoxy)-N-(2,4-dimethylphenyl)butanamide.
What is the SMILES notation for 4-(4-chloro-3-ethylphenoxy)-N-(2,4-dimethylphenyl)butanamide?
The canonical SMILES for 4-(4-chloro-3-ethylphenoxy)-N-(2,4-dimethylphenyl)butanamide is CCc1cc(OCCCC(=O)Nc2ccc(C)cc2C)ccc1Cl.
What is the InChIKey of 4-(4-chloro-3-ethylphenoxy)-N-(2,4-dimethylphenyl)butanamide?
The InChIKey is UDIQLVDBCMYXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO2/c1-4-16-13-17(8-9-18(16)21)24-11-5-6-20(23)22-19-10-7-14(2)12-15(19)3/h7-10,12-13H,4-6,11H2,1-3H3,(H,22,23).
What are the key properties of 4-(4-chloro-3-ethylphenoxy)-N-(2,4-dimethylphenyl)butanamide?
4-(4-chloro-3-ethylphenoxy)-N-(2,4-dimethylphenyl)butanamide has a molecular weight of 345.87 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-ethylphenoxy)-N-(2,4-dimethylphenyl)butanamide is sourced from PubChem (CID 20580448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).