3-(ethoxymethyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide

C24H29N2O3+ — CID 8533027

IUPAC3-(ethoxymethyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
SMILESCCOCc1c(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)oc2ccccc12
InChIInChI=1S/C24H28N2O3/c1-2-28-17-21-20-7-3-4-8-22(20)29-23(21)24(27)25-15-18-9-11-19(12-10-18)16-26-13-5-6-14-26/h3-4,7-12H,2,5-6,13-17H2,1H3,(H,25,27)/p+1
InChIKeyNBPVIQUFSYZAQI-UHFFFAOYSA-O
MW393.51 g/mol
LogP3.08
Rot. Bonds8

About 3-(ethoxymethyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide

3-(ethoxymethyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 8533027) has the molecular formula C24H29N2O3+ and a molecular weight of 393.51 g/mol. Its IUPAC name is 3-(ethoxymethyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-(ethoxymethyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
PubChem CID8533027
Molecular FormulaC24H29N2O3+
Molecular Weight393.51 g/mol
Exact Mass393.22
IUPAC Name3-(ethoxymethyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
SMILESCCOCc1c(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)oc2ccccc12
InChIInChI=1S/C24H28N2O3/c1-2-28-17-21-20-7-3-4-8-22(20)29-23(21)24(27)25-15-18-9-11-19(12-10-18)16-26-13-5-6-14-26/h3-4,7-12H,2,5-6,13-17H2,1H3,(H,25,27)/p+1
InChIKeyNBPVIQUFSYZAQI-UHFFFAOYSA-O
XLogP3.08
TPSA55.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(ethoxymethyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-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

N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide
CID 8948223
N-[(3-chlorophenyl)methyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide
CID 9079515
N-(3-cyclohexyloxypropyl)-3-(ethoxymethyl)-1-benzofuran-2-carboxamide
CID 8962542
N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 2603906
[4-[[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium
CID 8533387
(4-methoxycarbonylphenyl)methyl 3-(ethoxymethyl)-1-benzofuran-2-carboxylate
CID 2660302
N-(1,3-benzodioxol-5-ylmethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 4789921
[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate
CID 7960975
3-(ethoxymethyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 8941093
N-[(4-chlorophenyl)methyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 2511433
[2-(2-acetylhydrazinyl)-2-oxoethyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate
CID 7960844
2-(2-ethoxyphenoxy)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide
CID 9049859

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-(ethoxymethyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide (CID 8533027) is 3-(ethoxymethyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-(ethoxymethyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-(ethoxymethyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide is CCOCc1c(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)oc2ccccc12.
What is the InChIKey of 3-(ethoxymethyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
The InChIKey is NBPVIQUFSYZAQI-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H28N2O3/c1-2-28-17-21-20-7-3-4-8-22(20)29-23(21)24(27)25-15-18-9-11-19(12-10-18)16-26-13-5-6-14-26/h3-4,7-12H,2,5-6,13-17H2,1H3,(H,25,27)/p+1.
What are the key properties of 3-(ethoxymethyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
3-(ethoxymethyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 393.51 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 8533027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).