N-(2,5-diethoxyphenyl)-4-phenoxybutanamide

C20H25NO4 — CID 31526572

IUPACN-(2,5-diethoxyphenyl)-4-phenoxybutanamide
SMILESCCOc1ccc(OCC)c(NC(=O)CCCOc2ccccc2)c1
InChIInChI=1S/C20H25NO4/c1-3-23-17-12-13-19(24-4-2)18(15-17)21-20(22)11-8-14-25-16-9-6-5-7-10-16/h5-7,9-10,12-13,15H,3-4,8,11,14H2,1-2H3,(H,21,22)
InChIKeyDOPWTDXGGLENEC-UHFFFAOYSA-N
MW343.42 g/mol
LogP4.28
Rot. Bonds10

About N-(2,5-diethoxyphenyl)-4-phenoxybutanamide

N-(2,5-diethoxyphenyl)-4-phenoxybutanamide (PubChem CID 31526572) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-4-phenoxybutanamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-4-phenoxybutanamide
PubChem CID31526572
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC NameN-(2,5-diethoxyphenyl)-4-phenoxybutanamide
SMILESCCOc1ccc(OCC)c(NC(=O)CCCOc2ccccc2)c1
InChIInChI=1S/C20H25NO4/c1-3-23-17-12-13-19(24-4-2)18(15-17)21-20(22)11-8-14-25-16-9-6-5-7-10-16/h5-7,9-10,12-13,15H,3-4,8,11,14H2,1-2H3,(H,21,22)
InChIKeyDOPWTDXGGLENEC-UHFFFAOYSA-N
XLogP4.28
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 54.28
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

N-(2,5-diethoxyphenyl)-5-hydroxypentanamide
CID 79198989
4-(2,5-diethoxyanilino)-4-oxobutanoic acid
CID 1133656
N-(2,5-diethoxyphenyl)-3-(2-ethoxyphenyl)propanamide
CID 33002086
4-(4-ethoxyphenoxy)-N-(2-methylphenyl)butanamide
CID 7946732
4-(4-chlorophenyl)sulfanyl-N-(2,5-diethoxyphenyl)butanamide
CID 16549738
4-(2-ethoxyphenoxy)-N-(2-ethoxyphenyl)butanamide
CID 7935064
N-(2,5-diethoxyphenyl)-2-methoxyacetamide
CID 34737899
N-[2,5-diethoxy-4-[4-[4-(2-methylbutan-2-yl)phenoxy]butanoylamino]phenyl]benzamide
CID 19237102
N-[(2-ethoxyphenyl)carbamothioyl]-4-phenoxybutanamide
CID 19188354
2-(benzhydrylamino)-N-(2,5-diethoxyphenyl)acetamide
CID 24565254
3-amino-N-(2-ethoxy-5-methoxyphenyl)propanamide
CID 119318009
2-(2-chlorophenyl)-N-(2,5-diethoxyphenyl)acetamide
CID 26179955

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-4-phenoxybutanamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-4-phenoxybutanamide (CID 31526572) is N-(2,5-diethoxyphenyl)-4-phenoxybutanamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-4-phenoxybutanamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-4-phenoxybutanamide is CCOc1ccc(OCC)c(NC(=O)CCCOc2ccccc2)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-4-phenoxybutanamide?
The InChIKey is DOPWTDXGGLENEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-3-23-17-12-13-19(24-4-2)18(15-17)21-20(22)11-8-14-25-16-9-6-5-7-10-16/h5-7,9-10,12-13,15H,3-4,8,11,14H2,1-2H3,(H,21,22).
What are the key properties of N-(2,5-diethoxyphenyl)-4-phenoxybutanamide?
N-(2,5-diethoxyphenyl)-4-phenoxybutanamide has a molecular weight of 343.42 g/mol, XLogP of 4.28, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-4-phenoxybutanamide is sourced from PubChem (CID 31526572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).