2-[benzyl(furan-2-ylmethyl)amino]-N-(2-cyanophenyl)acetamide

C21H19N3O2 — CID 156786224

IUPAC2-[benzyl(furan-2-ylmethyl)amino]-N-(2-cyanophenyl)acetamide
SMILESN#Cc1ccccc1NC(=O)CN(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C21H19N3O2/c22-13-18-9-4-5-11-20(18)23-21(25)16-24(15-19-10-6-12-26-19)14-17-7-2-1-3-8-17/h1-12H,14-16H2,(H,23,25)
InChIKeyQPVNKSZVLGNJKM-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.79
Rot. Bonds7

About 2-[benzyl(furan-2-ylmethyl)amino]-N-(2-cyanophenyl)acetamide

2-[benzyl(furan-2-ylmethyl)amino]-N-(2-cyanophenyl)acetamide (PubChem CID 156786224) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-[benzyl(furan-2-ylmethyl)amino]-N-(2-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl(furan-2-ylmethyl)amino]-N-(2-cyanophenyl)acetamide
PubChem CID156786224
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name2-[benzyl(furan-2-ylmethyl)amino]-N-(2-cyanophenyl)acetamide
SMILESN#Cc1ccccc1NC(=O)CN(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C21H19N3O2/c22-13-18-9-4-5-11-20(18)23-21(25)16-24(15-19-10-6-12-26-19)14-17-7-2-1-3-8-17/h1-12H,14-16H2,(H,23,25)
InChIKeyQPVNKSZVLGNJKM-UHFFFAOYSA-N
XLogP3.79
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(furan-2-ylmethyl)amino]-N-(2-cyanophenyl)acetamide?
The IUPAC name of 2-[benzyl(furan-2-ylmethyl)amino]-N-(2-cyanophenyl)acetamide (CID 156786224) is 2-[benzyl(furan-2-ylmethyl)amino]-N-(2-cyanophenyl)acetamide.
What is the SMILES notation for 2-[benzyl(furan-2-ylmethyl)amino]-N-(2-cyanophenyl)acetamide?
The canonical SMILES for 2-[benzyl(furan-2-ylmethyl)amino]-N-(2-cyanophenyl)acetamide is N#Cc1ccccc1NC(=O)CN(Cc1ccccc1)Cc1ccco1.
What is the InChIKey of 2-[benzyl(furan-2-ylmethyl)amino]-N-(2-cyanophenyl)acetamide?
The InChIKey is QPVNKSZVLGNJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c22-13-18-9-4-5-11-20(18)23-21(25)16-24(15-19-10-6-12-26-19)14-17-7-2-1-3-8-17/h1-12H,14-16H2,(H,23,25).
What are the key properties of 2-[benzyl(furan-2-ylmethyl)amino]-N-(2-cyanophenyl)acetamide?
2-[benzyl(furan-2-ylmethyl)amino]-N-(2-cyanophenyl)acetamide has a molecular weight of 345.40 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(furan-2-ylmethyl)amino]-N-(2-cyanophenyl)acetamide is sourced from PubChem (CID 156786224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).