N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-pyrrol-1-ylbenzamide

C21H22N2O3 — CID 55801473

IUPACN-[[3-(2-methoxyethoxy)phenyl]methyl]-4-pyrrol-1-ylbenzamide
SMILESCOCCOc1cccc(CNC(=O)c2ccc(-n3cccc3)cc2)c1
InChIInChI=1S/C21H22N2O3/c1-25-13-14-26-20-6-4-5-17(15-20)16-22-21(24)18-7-9-19(10-8-18)23-11-2-3-12-23/h2-12,15H,13-14,16H2,1H3,(H,22,24)
InChIKeySTAWAODIBWUPAJ-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.43
Rot. Bonds8

About N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-pyrrol-1-ylbenzamide

N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-pyrrol-1-ylbenzamide (PubChem CID 55801473) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[[3-(2-methoxyethoxy)phenyl]methyl]-4-pyrrol-1-ylbenzamide
PubChem CID55801473
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-[[3-(2-methoxyethoxy)phenyl]methyl]-4-pyrrol-1-ylbenzamide
SMILESCOCCOc1cccc(CNC(=O)c2ccc(-n3cccc3)cc2)c1
InChIInChI=1S/C21H22N2O3/c1-25-13-14-26-20-6-4-5-17(15-20)16-22-21(24)18-7-9-19(10-8-18)23-11-2-3-12-23/h2-12,15H,13-14,16H2,1H3,(H,22,24)
InChIKeySTAWAODIBWUPAJ-UHFFFAOYSA-N
XLogP3.43
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-pyrrol-1-ylbenzamide 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

4-(3,5-dimethylpyrazol-1-yl)-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 55801026
N-[[4-(methoxymethyl)phenyl]methyl]-4-pyrrol-1-ylbenzamide
CID 46448239
N-[3-(3-methylphenoxy)propyl]-4-pyrrol-1-ylbenzamide
CID 24533410
N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide
CID 142337904
methyl 4-[(4-pyrrol-1-ylphenyl)methylcarbamoyl]benzoate
CID 4919619
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-pyrrol-1-ylbenzamide
CID 110793434
N-[[3-[2-(4-phenoxyphenoxy)ethoxy]phenyl]methyl]benzamide
CID 173183648
4-imidazol-1-yl-N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-nitrobenzamide
CID 55801435
4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664
3-amino-N-[[3-(2-methoxyethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119289322
N-[[2-(methoxymethyl)phenyl]methyl]-4-pyrrol-1-ylbenzamide
CID 32603825
5-[[3-(2-methoxyethoxy)phenyl]methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120688954

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-pyrrol-1-ylbenzamide (CID 55801473) is N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-pyrrol-1-ylbenzamide is COCCOc1cccc(CNC(=O)c2ccc(-n3cccc3)cc2)c1.
What is the InChIKey of N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-pyrrol-1-ylbenzamide?
The InChIKey is STAWAODIBWUPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-25-13-14-26-20-6-4-5-17(15-20)16-22-21(24)18-7-9-19(10-8-18)23-11-2-3-12-23/h2-12,15H,13-14,16H2,1H3,(H,22,24).
What are the key properties of N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-pyrrol-1-ylbenzamide?
N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-pyrrol-1-ylbenzamide has a molecular weight of 350.42 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 55801473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).