2,5-dimethoxy-N-(4-phenoxybutyl)benzamide

C19H23NO4 — CID 18120226

IUPAC2,5-dimethoxy-N-(4-phenoxybutyl)benzamide
SMILESCOc1ccc(OC)c(C(=O)NCCCCOc2ccccc2)c1
InChIInChI=1S/C19H23NO4/c1-22-16-10-11-18(23-2)17(14-16)19(21)20-12-6-7-13-24-15-8-4-3-5-9-15/h3-5,8-11,14H,6-7,12-13H2,1-2H3,(H,20,21)
InChIKeyGDMNJNIBRHEGRJ-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.29
Rot. Bonds9

About 2,5-dimethoxy-N-(4-phenoxybutyl)benzamide

2,5-dimethoxy-N-(4-phenoxybutyl)benzamide (PubChem CID 18120226) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2,5-dimethoxy-N-(4-phenoxybutyl)benzamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-(4-phenoxybutyl)benzamide
PubChem CID18120226
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name2,5-dimethoxy-N-(4-phenoxybutyl)benzamide
SMILESCOc1ccc(OC)c(C(=O)NCCCCOc2ccccc2)c1
InChIInChI=1S/C19H23NO4/c1-22-16-10-11-18(23-2)17(14-16)19(21)20-12-6-7-13-24-15-8-4-3-5-9-15/h3-5,8-11,14H,6-7,12-13H2,1-2H3,(H,20,21)
InChIKeyGDMNJNIBRHEGRJ-UHFFFAOYSA-N
XLogP3.29
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.29
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

2,4-dimethoxy-N-(3-phenoxypropyl)benzamide
CID 51256264
N-(4-hydroxybutyl)-2,5-dimethoxybenzamide
CID 106843793
N-[2-(2-fluorophenoxy)ethyl]-2,5-dimethoxybenzamide
CID 18113619
2-fluoro-4-methoxy-N-(2-phenoxyethyl)benzamide
CID 30756648
2-(2,5-dimethoxyphenyl)-N-[4-(4-methylphenoxy)butyl]acetamide
CID 78882858
N-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide
CID 3517424
N-[6-[(2,4-dimethoxybenzoyl)amino]hexyl]-2,4-dimethoxybenzamide
CID 4051354
2-methoxy-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
CID 108538068
2,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 18189798
2,4,5-trimethoxy-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 8934968
2,4-dimethoxy-N-[3-(3-methylphenoxy)propyl]benzamide
CID 27039874
1-(2,4-dimethoxyphenyl)-3-(3-phenoxypropyl)urea
CID 108883150

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-(4-phenoxybutyl)benzamide?
The IUPAC name of 2,5-dimethoxy-N-(4-phenoxybutyl)benzamide (CID 18120226) is 2,5-dimethoxy-N-(4-phenoxybutyl)benzamide.
What is the SMILES notation for 2,5-dimethoxy-N-(4-phenoxybutyl)benzamide?
The canonical SMILES for 2,5-dimethoxy-N-(4-phenoxybutyl)benzamide is COc1ccc(OC)c(C(=O)NCCCCOc2ccccc2)c1.
What is the InChIKey of 2,5-dimethoxy-N-(4-phenoxybutyl)benzamide?
The InChIKey is GDMNJNIBRHEGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-22-16-10-11-18(23-2)17(14-16)19(21)20-12-6-7-13-24-15-8-4-3-5-9-15/h3-5,8-11,14H,6-7,12-13H2,1-2H3,(H,20,21).
What are the key properties of 2,5-dimethoxy-N-(4-phenoxybutyl)benzamide?
2,5-dimethoxy-N-(4-phenoxybutyl)benzamide has a molecular weight of 329.40 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-(4-phenoxybutyl)benzamide is sourced from PubChem (CID 18120226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).