3-[4-(2-ethoxyphenoxy)butanoylamino]-1-benzofuran-2-carboxamide

C21H22N2O5 — CID 17436206

IUPAC3-[4-(2-ethoxyphenoxy)butanoylamino]-1-benzofuran-2-carboxamide
SMILESCCOc1ccccc1OCCCC(=O)Nc1c(C(N)=O)oc2ccccc12
InChIInChI=1S/C21H22N2O5/c1-2-26-16-10-5-6-11-17(16)27-13-7-12-18(24)23-19-14-8-3-4-9-15(14)28-20(19)21(22)25/h3-6,8-11H,2,7,12-13H2,1H3,(H2,22,25)(H,23,24)
InChIKeyROCCHXBLFHUNGO-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.73
Rot. Bonds9

About 3-[4-(2-ethoxyphenoxy)butanoylamino]-1-benzofuran-2-carboxamide

3-[4-(2-ethoxyphenoxy)butanoylamino]-1-benzofuran-2-carboxamide (PubChem CID 17436206) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is 3-[4-(2-ethoxyphenoxy)butanoylamino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[4-(2-ethoxyphenoxy)butanoylamino]-1-benzofuran-2-carboxamide
PubChem CID17436206
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name3-[4-(2-ethoxyphenoxy)butanoylamino]-1-benzofuran-2-carboxamide
SMILESCCOc1ccccc1OCCCC(=O)Nc1c(C(N)=O)oc2ccccc12
InChIInChI=1S/C21H22N2O5/c1-2-26-16-10-5-6-11-17(16)27-13-7-12-18(24)23-19-14-8-3-4-9-15(14)28-20(19)21(22)25/h3-6,8-11H,2,7,12-13H2,1H3,(H2,22,25)(H,23,24)
InChIKeyROCCHXBLFHUNGO-UHFFFAOYSA-N
XLogP3.73
TPSA103.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[4-(2-ethoxyphenoxy)butanoylamino]-1-benzofuran-2-carboxamide 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

3-(pentanoylamino)-1-benzofuran-2-carboxamide
CID 7385691
3-[(2-ethoxynaphthalene-1-carbonyl)amino]-1-benzofuran-2-carboxamide
CID 7385763
3-[[2-(2-methoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 17409565
3-[4-(4-fluorophenyl)sulfonylbutanoylamino]-1-benzofuran-2-carboxamide
CID 18585988
4-(2-ethoxyphenoxy)-N-(2-ethoxyphenyl)butanamide
CID 7935064
3-[[2-(4-fluorophenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 7385792
3-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide
CID 1267238
N-(2-benzoyl-1-benzofuran-3-yl)pentanamide
CID 3445962
N-benzyl-4-(2-ethoxyphenoxy)butanamide
CID 78774394
ethyl 3-(3-phenylsulfanylpropanoylamino)-1-benzofuran-2-carboxylate
CID 4250174
4-(2-ethoxyphenoxy)-N-ethylbutanamide
CID 78781225
ethyl 3-[4-(4-methylphenyl)sulfonylbutanoylamino]-1-benzofuran-2-carboxylate
CID 41273431

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-ethoxyphenoxy)butanoylamino]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[4-(2-ethoxyphenoxy)butanoylamino]-1-benzofuran-2-carboxamide (CID 17436206) is 3-[4-(2-ethoxyphenoxy)butanoylamino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[4-(2-ethoxyphenoxy)butanoylamino]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[4-(2-ethoxyphenoxy)butanoylamino]-1-benzofuran-2-carboxamide is CCOc1ccccc1OCCCC(=O)Nc1c(C(N)=O)oc2ccccc12.
What is the InChIKey of 3-[4-(2-ethoxyphenoxy)butanoylamino]-1-benzofuran-2-carboxamide?
The InChIKey is ROCCHXBLFHUNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-2-26-16-10-5-6-11-17(16)27-13-7-12-18(24)23-19-14-8-3-4-9-15(14)28-20(19)21(22)25/h3-6,8-11H,2,7,12-13H2,1H3,(H2,22,25)(H,23,24).
What are the key properties of 3-[4-(2-ethoxyphenoxy)butanoylamino]-1-benzofuran-2-carboxamide?
3-[4-(2-ethoxyphenoxy)butanoylamino]-1-benzofuran-2-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 3.73, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-ethoxyphenoxy)butanoylamino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 17436206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).