2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide

C18H21N3O2 — CID 78822968

IUPAC2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN(CCC#N)Cc1ccco1)c1ccccc1
InChIInChI=1S/C18H21N3O2/c1-15(16-7-3-2-4-8-16)20-18(22)14-21(11-6-10-19)13-17-9-5-12-23-17/h2-5,7-9,12,15H,6,11,13-14H2,1H3,(H,20,22)
InChIKeyIBMORQYGKICSBG-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.87
Rot. Bonds8

About 2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide

2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide (PubChem CID 78822968) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide
PubChem CID78822968
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN(CCC#N)Cc1ccco1)c1ccccc1
InChIInChI=1S/C18H21N3O2/c1-15(16-7-3-2-4-8-16)20-18(22)14-21(11-6-10-19)13-17-9-5-12-23-17/h2-5,7-9,12,15H,6,11,13-14H2,1H3,(H,20,22)
InChIKeyIBMORQYGKICSBG-UHFFFAOYSA-N
XLogP2.87
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[acetyl(furan-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide
CID 113160988
2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(2-methylpropylcarbamoyl)acetamide
CID 86910979
3-[[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-(furan-2-ylmethyl)amino]propanenitrile
CID 78820956
2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]acetamide
CID 78820968
3-acetamido-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-3-phenylpropanamide
CID 78798556
4-[[furan-2-ylmethyl-[2-oxo-2-[1-(4-phenylphenyl)ethylamino]ethyl]amino]methyl]-N-methylbenzamide
CID 42947752
2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(2,6-dichlorophenyl)acetamide
CID 86910946
2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 7999685
2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide
CID 78822926
2-[2-cyanoethyl(furan-2-ylmethyl)sulfamoyl]propanoic acid
CID 61458170
2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 86911016
N-(3-chloro-4-cyanophenyl)-2-[2-cyanoethyl(furan-2-ylmethyl)amino]acetamide
CID 86910978

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide (CID 78822968) is 2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide is CC(NC(=O)CN(CCC#N)Cc1ccco1)c1ccccc1.
What is the InChIKey of 2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide?
The InChIKey is IBMORQYGKICSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-15(16-7-3-2-4-8-16)20-18(22)14-21(11-6-10-19)13-17-9-5-12-23-17/h2-5,7-9,12,15H,6,11,13-14H2,1H3,(H,20,22).
What are the key properties of 2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide?
2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide has a molecular weight of 311.38 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 78822968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).