N-[2-(2,4-dimethoxyphenyl)ethyl]-4-phenoxybutanamide

C20H25NO4 — CID 110601484

IUPACN-[2-(2,4-dimethoxyphenyl)ethyl]-4-phenoxybutanamide
SMILESCOc1ccc(CCNC(=O)CCCOc2ccccc2)c(OC)c1
InChIInChI=1S/C20H25NO4/c1-23-18-11-10-16(19(15-18)24-2)12-13-21-20(22)9-6-14-25-17-7-4-3-5-8-17/h3-5,7-8,10-11,15H,6,9,12-14H2,1-2H3,(H,21,22)
InChIKeyJGSCUUHQTVGSIH-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.22
Rot. Bonds10

About N-[2-(2,4-dimethoxyphenyl)ethyl]-4-phenoxybutanamide

N-[2-(2,4-dimethoxyphenyl)ethyl]-4-phenoxybutanamide (PubChem CID 110601484) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is N-[2-(2,4-dimethoxyphenyl)ethyl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethoxyphenyl)ethyl]-4-phenoxybutanamide
PubChem CID110601484
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC NameN-[2-(2,4-dimethoxyphenyl)ethyl]-4-phenoxybutanamide
SMILESCOc1ccc(CCNC(=O)CCCOc2ccccc2)c(OC)c1
InChIInChI=1S/C20H25NO4/c1-23-18-11-10-16(19(15-18)24-2)12-13-21-20(22)9-6-14-25-17-7-4-3-5-8-17/h3-5,7-8,10-11,15H,6,9,12-14H2,1-2H3,(H,21,22)
InChIKeyJGSCUUHQTVGSIH-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
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-(2,4-dimethoxyphenyl)ethyl]-3-sulfanylpropanamide
CID 115168006
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-hydroxyacetamide
CID 94687467
N-[2-(2-hydroxyphenyl)ethyl]-4-phenoxybutanamide
CID 110605250
N-[2-(2,4-dimethoxyphenyl)ethyl]-3-methylsulfonylpropanamide
CID 110607051
2-(4-chlorophenoxy)-N-[2-(2,4-dimethoxyphenyl)ethyl]acetamide
CID 110601482
4-[3-[2-(2,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]benzoic acid
CID 119182295
N-[2-(2,4-dimethoxyphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide
CID 110615942
1-[2-(2,4-dimethoxyphenyl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 110408905
N-[2-(2-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 8911196
2-methoxy-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
CID 108538068
N-[2-(2-chloro-4-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 110789762
4-[2-[2-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]ethylamino]-4-oxobutanoic acid
CID 22681232

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethoxyphenyl)ethyl]-4-phenoxybutanamide?
The IUPAC name of N-[2-(2,4-dimethoxyphenyl)ethyl]-4-phenoxybutanamide (CID 110601484) is N-[2-(2,4-dimethoxyphenyl)ethyl]-4-phenoxybutanamide.
What is the SMILES notation for N-[2-(2,4-dimethoxyphenyl)ethyl]-4-phenoxybutanamide?
The canonical SMILES for N-[2-(2,4-dimethoxyphenyl)ethyl]-4-phenoxybutanamide is COc1ccc(CCNC(=O)CCCOc2ccccc2)c(OC)c1.
What is the InChIKey of N-[2-(2,4-dimethoxyphenyl)ethyl]-4-phenoxybutanamide?
The InChIKey is JGSCUUHQTVGSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-23-18-11-10-16(19(15-18)24-2)12-13-21-20(22)9-6-14-25-17-7-4-3-5-8-17/h3-5,7-8,10-11,15H,6,9,12-14H2,1-2H3,(H,21,22).
What are the key properties of N-[2-(2,4-dimethoxyphenyl)ethyl]-4-phenoxybutanamide?
N-[2-(2,4-dimethoxyphenyl)ethyl]-4-phenoxybutanamide has a molecular weight of 343.42 g/mol, XLogP of 3.22, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethoxyphenyl)ethyl]-4-phenoxybutanamide is sourced from PubChem (CID 110601484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).