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

C20H25N3O2 — CID 39973191

IUPACN-(2-cyanoethyl)-2-[(4-ethylphenyl)methyl-methylamino]-N-(furan-2-ylmethyl)acetamide
SMILESCCc1ccc(CN(C)CC(=O)N(CCC#N)Cc2ccco2)cc1
InChIInChI=1S/C20H25N3O2/c1-3-17-7-9-18(10-8-17)14-22(2)16-20(24)23(12-5-11-21)15-19-6-4-13-25-19/h4,6-10,13H,3,5,12,14-16H2,1-2H3
InChIKeyCGGCXIBWEPPWSR-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.22
Rot. Bonds9

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

N-(2-cyanoethyl)-2-[(4-ethylphenyl)methyl-methylamino]-N-(furan-2-ylmethyl)acetamide (PubChem CID 39973191) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[(4-ethylphenyl)methyl-methylamino]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[(4-ethylphenyl)methyl-methylamino]-N-(furan-2-ylmethyl)acetamide
PubChem CID39973191
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-(2-cyanoethyl)-2-[(4-ethylphenyl)methyl-methylamino]-N-(furan-2-ylmethyl)acetamide
SMILESCCc1ccc(CN(C)CC(=O)N(CCC#N)Cc2ccco2)cc1
InChIInChI=1S/C20H25N3O2/c1-3-17-7-9-18(10-8-17)14-22(2)16-20(24)23(12-5-11-21)15-19-6-4-13-25-19/h4,6-10,13H,3,5,12,14-16H2,1-2H3
InChIKeyCGGCXIBWEPPWSR-UHFFFAOYSA-N
XLogP3.22
TPSA60.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(furan-2-ylmethyl)acetamide
CID 18087127
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
CID 60520035
2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 63679913
2-[[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8622273
N-(2-chlorophenyl)-2-[[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-methylamino]acetamide
CID 8843259
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(propylamino)acetamide
CID 60687664
2-(tert-butylamino)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 78923666
N-(2-cyanoethyl)-3-[furan-2-ylmethyl(methyl)amino]-N-methylpropanamide
CID 43526914
4-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
CID 54874085
N,N-bis(2-cyanoethyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 86911190
2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-methylbutanamide
CID 79805676
4-(chloromethyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 60948719

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[(4-ethylphenyl)methyl-methylamino]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[(4-ethylphenyl)methyl-methylamino]-N-(furan-2-ylmethyl)acetamide (CID 39973191) is N-(2-cyanoethyl)-2-[(4-ethylphenyl)methyl-methylamino]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[(4-ethylphenyl)methyl-methylamino]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[(4-ethylphenyl)methyl-methylamino]-N-(furan-2-ylmethyl)acetamide is CCc1ccc(CN(C)CC(=O)N(CCC#N)Cc2ccco2)cc1.
What is the InChIKey of N-(2-cyanoethyl)-2-[(4-ethylphenyl)methyl-methylamino]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is CGGCXIBWEPPWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-3-17-7-9-18(10-8-17)14-22(2)16-20(24)23(12-5-11-21)15-19-6-4-13-25-19/h4,6-10,13H,3,5,12,14-16H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-2-[(4-ethylphenyl)methyl-methylamino]-N-(furan-2-ylmethyl)acetamide?
N-(2-cyanoethyl)-2-[(4-ethylphenyl)methyl-methylamino]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 339.44 g/mol, XLogP of 3.22, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[(4-ethylphenyl)methyl-methylamino]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 39973191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).