N-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]methyl]benzamide

C24H21NO6 — CID 123360585

IUPACN-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]methyl]benzamide
SMILESCOc1ccc(-c2ccc3c(c2)COC3=O)c(OCNC(=O)c2ccccc2)c1OC
InChIInChI=1S/C24H21NO6/c1-28-20-11-10-18(16-8-9-19-17(12-16)13-30-24(19)27)21(22(20)29-2)31-14-25-23(26)15-6-4-3-5-7-15/h3-12H,13-14H2,1-2H3,(H,25,26)
InChIKeyFQBRZBYTPOHSAQ-UHFFFAOYSA-N
MW419.43 g/mol
LogP3.81
Rot. Bonds7

About N-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]methyl]benzamide

N-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]methyl]benzamide (PubChem CID 123360585) has the molecular formula C24H21NO6 and a molecular weight of 419.43 g/mol. Its IUPAC name is N-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]methyl]benzamide.

Molecular Properties

Compound NameN-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]methyl]benzamide
PubChem CID123360585
Molecular FormulaC24H21NO6
Molecular Weight419.43 g/mol
Exact Mass419.14
IUPAC NameN-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]methyl]benzamide
SMILESCOc1ccc(-c2ccc3c(c2)COC3=O)c(OCNC(=O)c2ccccc2)c1OC
InChIInChI=1S/C24H21NO6/c1-28-20-11-10-18(16-8-9-19-17(12-16)13-30-24(19)27)21(22(20)29-2)31-14-25-23(26)15-6-4-3-5-7-15/h3-12H,13-14H2,1-2H3,(H,25,26)
InChIKeyFQBRZBYTPOHSAQ-UHFFFAOYSA-N
XLogP3.81
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-ethoxy-3-methoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]acetic acid
CID 123913920
ethyl 2-[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]acetate
CID 67464918
2-[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]ethyl propanoate
CID 67465056
N-[[2-(difluoromethoxy)-3-methoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]methyl]benzenesulfonamide
CID 123379906
[1-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]methyl]cyclopropyl] acetate
CID 67465513
2-[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]ethyl 3,3-dimethylbutanoate
CID 67464821
[1-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]methyl]cyclopropyl] 2-(2-methoxyethoxy)acetate
CID 67465595
[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenyl] cyclobutanecarboxylate
CID 54578243
[1-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]methyl]cyclopropyl] cyclopentanecarboxylate
CID 71279331
cyclobutyl 2-[2-ethoxy-3-methoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]acetate
CID 67462874
amino-[3-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]methyl]phenyl]-oxoazanium
CID 123845272
1-[1-[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]-2-ethylbutyl]cyclobutane-1-carboxylic acid
CID 123268350

Frequently Asked Questions

What is the IUPAC name of N-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]methyl]benzamide?
The IUPAC name of N-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]methyl]benzamide (CID 123360585) is N-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]methyl]benzamide.
What is the SMILES notation for N-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]methyl]benzamide?
The canonical SMILES for N-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]methyl]benzamide is COc1ccc(-c2ccc3c(c2)COC3=O)c(OCNC(=O)c2ccccc2)c1OC.
What is the InChIKey of N-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]methyl]benzamide?
The InChIKey is FQBRZBYTPOHSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO6/c1-28-20-11-10-18(16-8-9-19-17(12-16)13-30-24(19)27)21(22(20)29-2)31-14-25-23(26)15-6-4-3-5-7-15/h3-12H,13-14H2,1-2H3,(H,25,26).
What are the key properties of N-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]methyl]benzamide?
N-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]methyl]benzamide has a molecular weight of 419.43 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]methyl]benzamide is sourced from PubChem (CID 123360585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).