N-[3-(1-benzofuran-2-yl)propyl]-N'-(2-cyanophenyl)oxamide

C20H17N3O3 — CID 119103412

IUPACN-[3-(1-benzofuran-2-yl)propyl]-N'-(2-cyanophenyl)oxamide
SMILESN#Cc1ccccc1NC(=O)C(=O)NCCCc1cc2ccccc2o1
InChIInChI=1S/C20H17N3O3/c21-13-15-7-1-3-9-17(15)23-20(25)19(24)22-11-5-8-16-12-14-6-2-4-10-18(14)26-16/h1-4,6-7,9-10,12H,5,8,11H2,(H,22,24)(H,23,25)
InChIKeyUHAPDFFQANPYCC-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.99
Rot. Bonds5

About N-[3-(1-benzofuran-2-yl)propyl]-N'-(2-cyanophenyl)oxamide

N-[3-(1-benzofuran-2-yl)propyl]-N'-(2-cyanophenyl)oxamide (PubChem CID 119103412) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-[3-(1-benzofuran-2-yl)propyl]-N'-(2-cyanophenyl)oxamide.

Molecular Properties

Compound NameN-[3-(1-benzofuran-2-yl)propyl]-N'-(2-cyanophenyl)oxamide
PubChem CID119103412
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC NameN-[3-(1-benzofuran-2-yl)propyl]-N'-(2-cyanophenyl)oxamide
SMILESN#Cc1ccccc1NC(=O)C(=O)NCCCc1cc2ccccc2o1
InChIInChI=1S/C20H17N3O3/c21-13-15-7-1-3-9-17(15)23-20(25)19(24)22-11-5-8-16-12-14-6-2-4-10-18(14)26-16/h1-4,6-7,9-10,12H,5,8,11H2,(H,22,24)(H,23,25)
InChIKeyUHAPDFFQANPYCC-UHFFFAOYSA-N
XLogP2.99
TPSA95.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(1-benzofuran-2-yl)propyl]-N'-(2-cyanophenyl)oxamide 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-[3-(1-benzofuran-2-yl)propyl]-3-cyanobenzamide
CID 121020585
N'-(2-cyanophenyl)-N-pentyloxamide
CID 7541464
N'-(2-cyanophenyl)-N-(3-formamidopropyl)oxamide
CID 108501621
3-[[2-(2-cyanoanilino)-2-oxoacetyl]amino]propyl-dimethylazanium
CID 7292746
N'-(2-cyanophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108501500
N'-(1,3-benzodioxol-5-ylmethyl)-N-[3-(1-benzofuran-2-yl)propyl]oxamide
CID 119103420
N'-(2-cyanophenyl)-N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide
CID 155801263
N'-(2-cyanophenyl)-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]oxamide
CID 7222824
1-[3-(1-benzofuran-2-yl)propyl]-3-[(4-methoxyphenyl)methyl]urea
CID 121020618
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(2-cyanophenyl)oxamide
CID 42389800
N'-(2-cyanophenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide
CID 91624117
N'-(2-cyanophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
CID 16837423

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-benzofuran-2-yl)propyl]-N'-(2-cyanophenyl)oxamide?
The IUPAC name of N-[3-(1-benzofuran-2-yl)propyl]-N'-(2-cyanophenyl)oxamide (CID 119103412) is N-[3-(1-benzofuran-2-yl)propyl]-N'-(2-cyanophenyl)oxamide.
What is the SMILES notation for N-[3-(1-benzofuran-2-yl)propyl]-N'-(2-cyanophenyl)oxamide?
The canonical SMILES for N-[3-(1-benzofuran-2-yl)propyl]-N'-(2-cyanophenyl)oxamide is N#Cc1ccccc1NC(=O)C(=O)NCCCc1cc2ccccc2o1.
What is the InChIKey of N-[3-(1-benzofuran-2-yl)propyl]-N'-(2-cyanophenyl)oxamide?
The InChIKey is UHAPDFFQANPYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c21-13-15-7-1-3-9-17(15)23-20(25)19(24)22-11-5-8-16-12-14-6-2-4-10-18(14)26-16/h1-4,6-7,9-10,12H,5,8,11H2,(H,22,24)(H,23,25).
What are the key properties of N-[3-(1-benzofuran-2-yl)propyl]-N'-(2-cyanophenyl)oxamide?
N-[3-(1-benzofuran-2-yl)propyl]-N'-(2-cyanophenyl)oxamide has a molecular weight of 347.37 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-benzofuran-2-yl)propyl]-N'-(2-cyanophenyl)oxamide is sourced from PubChem (CID 119103412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).