N-(2-cyanoethyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(furan-2-ylmethyl)acetamide

C20H25N3O2 — CID 18087127

IUPACN-(2-cyanoethyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(furan-2-ylmethyl)acetamide
SMILESCc1ccc(CN(C)CC(=O)N(CCC#N)Cc2ccco2)c(C)c1
InChIInChI=1S/C20H25N3O2/c1-16-7-8-18(17(2)12-16)13-22(3)15-20(24)23(10-5-9-21)14-19-6-4-11-25-19/h4,6-8,11-12H,5,10,13-15H2,1-3H3
InChIKeyJLOALYQQXBARBE-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.27
Rot. Bonds8

About N-(2-cyanoethyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(furan-2-ylmethyl)acetamide

N-(2-cyanoethyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(furan-2-ylmethyl)acetamide (PubChem CID 18087127) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(furan-2-ylmethyl)acetamide
PubChem CID18087127
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-(2-cyanoethyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(furan-2-ylmethyl)acetamide
SMILESCc1ccc(CN(C)CC(=O)N(CCC#N)Cc2ccco2)c(C)c1
InChIInChI=1S/C20H25N3O2/c1-16-7-8-18(17(2)12-16)13-22(3)15-20(24)23(10-5-9-21)14-19-6-4-11-25-19/h4,6-8,11-12H,5,10,13-15H2,1-3H3
InChIKeyJLOALYQQXBARBE-UHFFFAOYSA-N
XLogP3.27
TPSA60.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(furan-2-ylmethyl)acetamide (CID 18087127) is N-(2-cyanoethyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(furan-2-ylmethyl)acetamide is Cc1ccc(CN(C)CC(=O)N(CCC#N)Cc2ccco2)c(C)c1.
What is the InChIKey of N-(2-cyanoethyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is JLOALYQQXBARBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-16-7-8-18(17(2)12-16)13-22(3)15-20(24)23(10-5-9-21)14-19-6-4-11-25-19/h4,6-8,11-12H,5,10,13-15H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(furan-2-ylmethyl)acetamide?
N-(2-cyanoethyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 339.44 g/mol, XLogP of 3.27, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 18087127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).