2-(4-cyanophenyl)-2-[ethyl(furan-3-ylmethyl)amino]acetamide

C16H17N3O2 — CID 75386133

IUPAC2-(4-cyanophenyl)-2-[ethyl(furan-3-ylmethyl)amino]acetamide
SMILESCCN(Cc1ccoc1)C(C(N)=O)c1ccc(C#N)cc1
InChIInChI=1S/C16H17N3O2/c1-2-19(10-13-7-8-21-11-13)15(16(18)20)14-5-3-12(9-17)4-6-14/h3-8,11,15H,2,10H2,1H3,(H2,18,20)
InChIKeyYRHFJIIHGHOGMU-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.20
Rot. Bonds6

About 2-(4-cyanophenyl)-2-[ethyl(furan-3-ylmethyl)amino]acetamide

2-(4-cyanophenyl)-2-[ethyl(furan-3-ylmethyl)amino]acetamide (PubChem CID 75386133) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-2-[ethyl(furan-3-ylmethyl)amino]acetamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)-2-[ethyl(furan-3-ylmethyl)amino]acetamide
PubChem CID75386133
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-(4-cyanophenyl)-2-[ethyl(furan-3-ylmethyl)amino]acetamide
SMILESCCN(Cc1ccoc1)C(C(N)=O)c1ccc(C#N)cc1
InChIInChI=1S/C16H17N3O2/c1-2-19(10-13-7-8-21-11-13)15(16(18)20)14-5-3-12(9-17)4-6-14/h3-8,11,15H,2,10H2,1H3,(H2,18,20)
InChIKeyYRHFJIIHGHOGMU-UHFFFAOYSA-N
XLogP2.20
TPSA83.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-2-[ethyl(furan-3-ylmethyl)amino]acetamide?
The IUPAC name of 2-(4-cyanophenyl)-2-[ethyl(furan-3-ylmethyl)amino]acetamide (CID 75386133) is 2-(4-cyanophenyl)-2-[ethyl(furan-3-ylmethyl)amino]acetamide.
What is the SMILES notation for 2-(4-cyanophenyl)-2-[ethyl(furan-3-ylmethyl)amino]acetamide?
The canonical SMILES for 2-(4-cyanophenyl)-2-[ethyl(furan-3-ylmethyl)amino]acetamide is CCN(Cc1ccoc1)C(C(N)=O)c1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanophenyl)-2-[ethyl(furan-3-ylmethyl)amino]acetamide?
The InChIKey is YRHFJIIHGHOGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-2-19(10-13-7-8-21-11-13)15(16(18)20)14-5-3-12(9-17)4-6-14/h3-8,11,15H,2,10H2,1H3,(H2,18,20).
What are the key properties of 2-(4-cyanophenyl)-2-[ethyl(furan-3-ylmethyl)amino]acetamide?
2-(4-cyanophenyl)-2-[ethyl(furan-3-ylmethyl)amino]acetamide has a molecular weight of 283.33 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-2-[ethyl(furan-3-ylmethyl)amino]acetamide is sourced from PubChem (CID 75386133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).