4-(4-chloro-3,5-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide

C20H24ClNO4 — CID 19191082

IUPAC4-(4-chloro-3,5-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide
SMILESCOc1ccc(NC(=O)CCCOc2cc(C)c(Cl)c(C)c2)cc1OC
InChIInChI=1S/C20H24ClNO4/c1-13-10-16(11-14(2)20(13)21)26-9-5-6-19(23)22-15-7-8-17(24-3)18(12-15)25-4/h7-8,10-12H,5-6,9H2,1-4H3,(H,22,23)
InChIKeyDDIGMNQHLIYTKY-UHFFFAOYSA-N
MW377.87 g/mol
LogP4.77
Rot. Bonds8

About 4-(4-chloro-3,5-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide

4-(4-chloro-3,5-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide (PubChem CID 19191082) has the molecular formula C20H24ClNO4 and a molecular weight of 377.87 g/mol. Its IUPAC name is 4-(4-chloro-3,5-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide.

Molecular Properties

Compound Name4-(4-chloro-3,5-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide
PubChem CID19191082
Molecular FormulaC20H24ClNO4
Molecular Weight377.87 g/mol
Exact Mass377.14
IUPAC Name4-(4-chloro-3,5-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide
SMILESCOc1ccc(NC(=O)CCCOc2cc(C)c(Cl)c(C)c2)cc1OC
InChIInChI=1S/C20H24ClNO4/c1-13-10-16(11-14(2)20(13)21)26-9-5-6-19(23)22-15-7-8-17(24-3)18(12-15)25-4/h7-8,10-12H,5-6,9H2,1-4H3,(H,22,23)
InChIKeyDDIGMNQHLIYTKY-UHFFFAOYSA-N
XLogP4.77
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(4-chloro-3,5-dimethylphenoxy)butanoylamino]benzamide
CID 19191093
4-(4-chloro-3,5-dimethylphenoxy)-N-(4-fluorophenyl)butanamide
CID 19191108
4-(4-chloro-3,5-dimethylphenoxy)-N-(4-iodophenyl)butanamide
CID 19191112
4-(2,4-dichlorophenoxy)-N-(3,4-dimethoxyphenyl)butanamide
CID 2282471
4-(4-chloro-3,5-dimethylphenoxy)-N-[4-(diethylamino)phenyl]butanamide
CID 19191158
N-(4-ethoxy-3-methoxyphenyl)-4-(4-methylphenoxy)butanamide
CID 9103080
4-(2-bromo-4-methylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide
CID 19201751
4-chloro-N-(4-methoxy-3-methylphenyl)butanamide
CID 63308381
4-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 19191215
2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide
CID 19201755
N-(3,4-dimethoxyphenyl)-5-fluoropentanamide
CID 24786653
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3,5-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide?
The IUPAC name of 4-(4-chloro-3,5-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide (CID 19191082) is 4-(4-chloro-3,5-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide.
What is the SMILES notation for 4-(4-chloro-3,5-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide?
The canonical SMILES for 4-(4-chloro-3,5-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide is COc1ccc(NC(=O)CCCOc2cc(C)c(Cl)c(C)c2)cc1OC.
What is the InChIKey of 4-(4-chloro-3,5-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide?
The InChIKey is DDIGMNQHLIYTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO4/c1-13-10-16(11-14(2)20(13)21)26-9-5-6-19(23)22-15-7-8-17(24-3)18(12-15)25-4/h7-8,10-12H,5-6,9H2,1-4H3,(H,22,23).
What are the key properties of 4-(4-chloro-3,5-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide?
4-(4-chloro-3,5-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide has a molecular weight of 377.87 g/mol, XLogP of 4.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3,5-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide is sourced from PubChem (CID 19191082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).