N-[2-(1-benzofuran-3-yl)ethyl]-N'-[(3-methoxyphenyl)methyl]propanediamide

C21H22N2O4 — CID 174143781

IUPACN-[2-(1-benzofuran-3-yl)ethyl]-N'-[(3-methoxyphenyl)methyl]propanediamide
SMILESCOc1cccc(CNC(=O)CC(=O)NCCc2coc3ccccc23)c1
InChIInChI=1S/C21H22N2O4/c1-26-17-6-4-5-15(11-17)13-23-21(25)12-20(24)22-10-9-16-14-27-19-8-3-2-7-18(16)19/h2-8,11,14H,9-10,12-13H2,1H3,(H,22,24)(H,23,25)
InChIKeyFMTIWVLDJIRRPQ-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.81
Rot. Bonds8

About N-[2-(1-benzofuran-3-yl)ethyl]-N'-[(3-methoxyphenyl)methyl]propanediamide

N-[2-(1-benzofuran-3-yl)ethyl]-N'-[(3-methoxyphenyl)methyl]propanediamide (PubChem CID 174143781) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[2-(1-benzofuran-3-yl)ethyl]-N'-[(3-methoxyphenyl)methyl]propanediamide.

Molecular Properties

Compound NameN-[2-(1-benzofuran-3-yl)ethyl]-N'-[(3-methoxyphenyl)methyl]propanediamide
PubChem CID174143781
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC NameN-[2-(1-benzofuran-3-yl)ethyl]-N'-[(3-methoxyphenyl)methyl]propanediamide
SMILESCOc1cccc(CNC(=O)CC(=O)NCCc2coc3ccccc23)c1
InChIInChI=1S/C21H22N2O4/c1-26-17-6-4-5-15(11-17)13-23-21(25)12-20(24)22-10-9-16-14-27-19-8-3-2-7-18(16)19/h2-8,11,14H,9-10,12-13H2,1H3,(H,22,24)(H,23,25)
InChIKeyFMTIWVLDJIRRPQ-UHFFFAOYSA-N
XLogP2.81
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-[2-(1-benzofuran-3-yl)ethyl]-N'-[(3-methoxyphenyl)methyl]propanediamide 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-benzo[e][1]benzofuran-1-yl-N-[(3-methoxyphenyl)methyl]acetamide
CID 8921521
N'-[2-(1H-indol-3-yl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948641
N'-[(4-fluorophenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108946382
N-[2-(3-fluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 27857986
N-benzyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2598100
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545
N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2086540
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
N-[2-(3-methoxyphenyl)ethyl]-N'-(2-methylpropyl)propanediamide
CID 108941583
N'-(2,6-diethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948687
2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22690352
N-[2-(1H-indol-3-yl)ethyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000852

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzofuran-3-yl)ethyl]-N'-[(3-methoxyphenyl)methyl]propanediamide?
The IUPAC name of N-[2-(1-benzofuran-3-yl)ethyl]-N'-[(3-methoxyphenyl)methyl]propanediamide (CID 174143781) is N-[2-(1-benzofuran-3-yl)ethyl]-N'-[(3-methoxyphenyl)methyl]propanediamide.
What is the SMILES notation for N-[2-(1-benzofuran-3-yl)ethyl]-N'-[(3-methoxyphenyl)methyl]propanediamide?
The canonical SMILES for N-[2-(1-benzofuran-3-yl)ethyl]-N'-[(3-methoxyphenyl)methyl]propanediamide is COc1cccc(CNC(=O)CC(=O)NCCc2coc3ccccc23)c1.
What is the InChIKey of N-[2-(1-benzofuran-3-yl)ethyl]-N'-[(3-methoxyphenyl)methyl]propanediamide?
The InChIKey is FMTIWVLDJIRRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-26-17-6-4-5-15(11-17)13-23-21(25)12-20(24)22-10-9-16-14-27-19-8-3-2-7-18(16)19/h2-8,11,14H,9-10,12-13H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-(1-benzofuran-3-yl)ethyl]-N'-[(3-methoxyphenyl)methyl]propanediamide?
N-[2-(1-benzofuran-3-yl)ethyl]-N'-[(3-methoxyphenyl)methyl]propanediamide has a molecular weight of 366.42 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzofuran-3-yl)ethyl]-N'-[(3-methoxyphenyl)methyl]propanediamide is sourced from PubChem (CID 174143781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).